(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane

C9H19N3 — CID 167485931

IUPAC(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
SMILESCC.[H]/N=C(\C=C(\C)N)C1CNC1
InChIInChI=1S/C7H13N3.C2H6/c1-5(8)2-7(9)6-3-10-4-6;1-2/h2,6,9-10H,3-4,8H2,1H3;1-2H3/b5-2-,9-7+;
InChIKeyVNQWVBYPIPXAOH-RYWULHDWSA-N
MW169.27 g/mol
LogP1.11
Rot. Bonds2

About (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane

(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane (PubChem CID 167485931) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
PubChem CID167485931
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane
SMILESCC.[H]/N=C(\C=C(\C)N)C1CNC1
InChIInChI=1S/C7H13N3.C2H6/c1-5(8)2-7(9)6-3-10-4-6;1-2/h2,6,9-10H,3-4,8H2,1H3;1-2H3/b5-2-,9-7+;
InChIKeyVNQWVBYPIPXAOH-RYWULHDWSA-N
XLogP1.11
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
CID 144643391
(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
CID 144758059
N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 150520194
(Z)-N,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 155055211
(Z)-N-butyl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 166745368
(E)-N,5-dimethyl-4-methyliminohex-2-en-3-amine
CID 166983864
N-[(Z)-1-(azetidin-3-yl)pent-2-en-2-yl]propan-1-imine
CID 167486130
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
CID 167486720
(Z)-1-(azetidin-3-yl)pent-2-ene-1,4-diimine
CID 168895404
(2E)-4-imino-1-N,2-dimethylhepta-2,6-diene-1,6-diamine
CID 170107411

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane?
The IUPAC name of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane (CID 167485931) is (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane.
What is the SMILES notation for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane?
The canonical SMILES for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane is CC.[H]/N=C(\C=C(\C)N)C1CNC1.
What is the InChIKey of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane?
The InChIKey is VNQWVBYPIPXAOH-RYWULHDWSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-5(8)2-7(9)6-3-10-4-6;1-2/h2,6,9-10H,3-4,8H2,1H3;1-2H3/b5-2-,9-7+;.
What are the key properties of (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane?
(Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane has a molecular weight of 169.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(azetidin-3-yl)-4-iminobut-2-en-2-amine;ethane is sourced from PubChem (CID 167485931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).