(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine

C21H34N4O — CID 164857067

IUPAC(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
SMILESCC(C)c1cc(N2CC(C)(C)C2)cnc1/C(N)=C/NCC1CCCCO1
InChIInChI=1S/C21H34N4O/c1-15(2)18-9-16(25-13-21(3,4)14-25)10-24-20(18)19(22)12-23-11-17-7-5-6-8-26-17/h9-10,12,15,17,23H,5-8,11,13-14,22H2,1-4H3/b19-12-
InChIKeyRQTFSGVSALHUED-UNOMPAQXSA-N
MW358.53 g/mol
LogP3.47
Rot. Bonds6

About (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine

(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine (PubChem CID 164857067) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
PubChem CID164857067
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
SMILESCC(C)c1cc(N2CC(C)(C)C2)cnc1/C(N)=C/NCC1CCCCO1
InChIInChI=1S/C21H34N4O/c1-15(2)18-9-16(25-13-21(3,4)14-25)10-24-20(18)19(22)12-23-11-17-7-5-6-8-26-17/h9-10,12,15,17,23H,5-8,11,13-14,22H2,1-4H3/b19-12-
InChIKeyRQTFSGVSALHUED-UNOMPAQXSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-1-[5-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-3-methyl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857603
(Z)-1-[2-methyl-4-(2-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857170
(Z)-1-[4-(2,5-diazaspiro[3.4]octan-2-yl)-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857557
(Z)-1-[2-methyl-4-[3-(propan-2-ylamino)prop-1-ynyl]phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857924
(Z)-1-[2-methyl-4-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857749
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 55014453
(Z)-1-(4-but-1-ynyl-2-methylphenyl)-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164858003
(Z)-1-[4-[(Z)-1-amino-3-ethyliminoprop-1-en-2-yl]-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857931
N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide
CID 164857676
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
1-[3-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]prop-2-ynyl]pyrrolidine-2-carboxylic acid
CID 164857486
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine (CID 164857067) is (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine is CC(C)c1cc(N2CC(C)(C)C2)cnc1/C(N)=C/NCC1CCCCO1.
What is the InChIKey of (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine?
The InChIKey is RQTFSGVSALHUED-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H34N4O/c1-15(2)18-9-16(25-13-21(3,4)14-25)10-24-20(18)19(22)12-23-11-17-7-5-6-8-26-17/h9-10,12,15,17,23H,5-8,11,13-14,22H2,1-4H3/b19-12-.
What are the key properties of (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine?
(Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine has a molecular weight of 358.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(3,3-dimethylazetidin-1-yl)-3-propan-2-yl-2-pyridinyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine is sourced from PubChem (CID 164857067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).