(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine

C9H17N3 — CID 153393998

IUPAC(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(\N)CC1CN(C)C1
InChIInChI=1S/C9H17N3/c1-11-4-3-9(10)5-8-6-12(2)7-8/h3-4,8H,5-7,10H2,1-2H3/b9-3-,11-4+
InChIKeySIXVVEIARYFRLB-NAYJDIOTSA-N
MW167.26 g/mol
LogP0.48
Rot. Bonds3

About (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine

(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine (PubChem CID 153393998) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine
PubChem CID153393998
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(\N)CC1CN(C)C1
InChIInChI=1S/C9H17N3/c1-11-4-3-9(10)5-8-6-12(2)7-8/h3-4,8H,5-7,10H2,1-2H3/b9-3-,11-4+
InChIKeySIXVVEIARYFRLB-NAYJDIOTSA-N
XLogP0.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-N-ethylidene-4-methylhex-2-ene-1,3-diimine
CID 123537731
1,4-Dimethyl-2,3,4,7-tetrahydroazocin-1-ium-5-amine
CID 123677821
(Z)-5-methyl-1-methyliminohex-2-en-3-amine
CID 166901162
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
CID 167485931
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
CID 167486130
(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
CID 167486384
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
(Z)-5-methyl-1-[(Z)-prop-1-enyl]iminohex-2-en-3-amine
CID 170196179
4-Methyl-1-methyliminohex-2-en-3-amine
CID 173833457
(1E,3E,5R)-2-(3-aminobut-2-enylideneamino)-4-(azetidin-1-yl)-5-methylhepta-1,3-dien-1-amine
CID 173932003
5-Methyl-1-propyliminohex-2-en-3-amine
CID 173989357
5-Methyl-1-methyliminohex-2-en-3-amine
CID 173989403

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The IUPAC name of (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine (CID 153393998) is (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine is C/N=C/C=C(\N)CC1CN(C)C1.
What is the InChIKey of (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine?
The InChIKey is SIXVVEIARYFRLB-NAYJDIOTSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-4-3-9(10)5-8-6-12(2)7-8/h3-4,8H,5-7,10H2,1-2H3/b9-3-,11-4+.
What are the key properties of (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine?
(Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methylazetidin-3-yl)-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 153393998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).