N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine

C12H23N3 — CID 142280176

IUPACN',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine
SMILESCC1=NCCC(N(C)CCC(C)CN)=C1
InChIInChI=1S/C12H23N3/c1-10(9-13)5-7-15(3)12-4-6-14-11(2)8-12/h8,10H,4-7,9,13H2,1-3H3
InChIKeyNSIPTUREYUWKCR-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.65
Rot. Bonds5

About N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine

N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine (PubChem CID 142280176) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine
PubChem CID142280176
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine
SMILESCC1=NCCC(N(C)CCC(C)CN)=C1
InChIInChI=1S/C12H23N3/c1-10(9-13)5-7-15(3)12-4-6-14-11(2)8-12/h8,10H,4-7,9,13H2,1-3H3
InChIKeyNSIPTUREYUWKCR-UHFFFAOYSA-N
XLogP1.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 75282889
(Z)-4-[3-(dimethylamino)propylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561718
(Z)-N-tert-butyl-4-[3-(dimethylamino)propylimino]pent-2-en-2-amine
CID 101561719
3-N-methyl-3-N-(2-methylbutyl)hex-3-ene-1,3-diamine
CID 123373506
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
3-methyl-N-propyl-2,3-dihydropyridin-4-amine
CID 143106734
N-ethyl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 149698046
N-butan-2-yl-4-butyliminopent-2-en-2-amine
CID 150109771

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine?
The IUPAC name of N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine (CID 142280176) is N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine?
The canonical SMILES for N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine is CC1=NCCC(N(C)CCC(C)CN)=C1.
What is the InChIKey of N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine?
The InChIKey is NSIPTUREYUWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(9-13)5-7-15(3)12-4-6-14-11(2)8-12/h8,10H,4-7,9,13H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine?
N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(6-methyl-2,3-dihydropyridin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 142280176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).