(Z)-3-(ethyliminomethyl)hept-2-en-4-amine

C10H20N2 — CID 142531750

IUPAC(Z)-3-(ethyliminomethyl)hept-2-en-4-amine
SMILESC/C=C(\C=N\CC)C(N)CCC
InChIInChI=1S/C10H20N2/c1-4-7-10(11)9(5-2)8-12-6-3/h5,8,10H,4,6-7,11H2,1-3H3/b9-5+,12-8+
InChIKeyCSXWKLNVGIPIQE-PIHCAMFYSA-N
MW168.28 g/mol
LogP2.15
Rot. Bonds5

About (Z)-3-(ethyliminomethyl)hept-2-en-4-amine

(Z)-3-(ethyliminomethyl)hept-2-en-4-amine (PubChem CID 142531750) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-3-(ethyliminomethyl)hept-2-en-4-amine.

Molecular Properties

Compound Name(Z)-3-(ethyliminomethyl)hept-2-en-4-amine
PubChem CID142531750
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-3-(ethyliminomethyl)hept-2-en-4-amine
SMILESC/C=C(\C=N\CC)C(N)CCC
InChIInChI=1S/C10H20N2/c1-4-7-10(11)9(5-2)8-12-6-3/h5,8,10H,4,6-7,11H2,1-3H3/b9-5+,12-8+
InChIKeyCSXWKLNVGIPIQE-PIHCAMFYSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,3-Difluorobutyl)-2,3-dihydropyridin-5-yl]methanamine
CID 162566234
[3-(2-methylpropylidene)-4,5-dihydro-2H-pyridin-2-yl]methanimine
CID 57216431
(5-Cyclopropyl-2-methyl-2,3-dihydropyridin-3-yl)methanamine
CID 89281118
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
(2-Methyl-2,3-dihydropyridin-5-yl)methanamine
CID 123156470
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
1-(2,3-Dihydropyridin-5-yl)propan-1-amine
CID 123588084
1-[(4Z)-4-hexa-2,4-dienylidene-2,3-dihydropyrrol-2-yl]ethanamine
CID 123865726
(5Z,8Z)-5-ethenyl-8-[(2-methyl-2H-azepin-4-yl)methyl]deca-5,8-dien-4-amine
CID 126763419
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethyliminomethyl)hept-2-en-4-amine?
The IUPAC name of (Z)-3-(ethyliminomethyl)hept-2-en-4-amine (CID 142531750) is (Z)-3-(ethyliminomethyl)hept-2-en-4-amine.
What is the SMILES notation for (Z)-3-(ethyliminomethyl)hept-2-en-4-amine?
The canonical SMILES for (Z)-3-(ethyliminomethyl)hept-2-en-4-amine is C/C=C(\C=N\CC)C(N)CCC.
What is the InChIKey of (Z)-3-(ethyliminomethyl)hept-2-en-4-amine?
The InChIKey is CSXWKLNVGIPIQE-PIHCAMFYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-10(11)9(5-2)8-12-6-3/h5,8,10H,4,6-7,11H2,1-3H3/b9-5+,12-8+.
What are the key properties of (Z)-3-(ethyliminomethyl)hept-2-en-4-amine?
(Z)-3-(ethyliminomethyl)hept-2-en-4-amine has a molecular weight of 168.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethyliminomethyl)hept-2-en-4-amine is sourced from PubChem (CID 142531750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).