1-imino-N-methylhept-5-en-2-amine

C8H16N2 — CID 123138426

IUPAC1-imino-N-methylhept-5-en-2-amine
SMILES[H]/N=C/C(CCC=CC)NC
InChIInChI=1S/C8H16N2/c1-3-4-5-6-8(7-9)10-2/h3-4,7-10H,5-6H2,1-2H3/b4-3?,9-7+
InChIKeyUSSOQNCQLBIRBI-IWJFFSHHSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds5

About 1-imino-N-methylhept-5-en-2-amine

1-imino-N-methylhept-5-en-2-amine (PubChem CID 123138426) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-imino-N-methylhept-5-en-2-amine.

Molecular Properties

Compound Name1-imino-N-methylhept-5-en-2-amine
PubChem CID123138426
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-imino-N-methylhept-5-en-2-amine
SMILES[H]/N=C/C(CCC=CC)NC
InChIInChI=1S/C8H16N2/c1-3-4-5-6-8(7-9)10-2/h3-4,7-10H,5-6H2,1-2H3/b4-3?,9-7+
InChIKeyUSSOQNCQLBIRBI-IWJFFSHHSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6435019
6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
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N-methylhept-5-en-2-amine
CID 49626
(Z)-N-methylhept-5-en-2-amine
CID 89925338
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
N-(2-methyliminoethyl)hex-4-en-2-amine
CID 123303353
N-methyl-8-methyliminooct-2-en-1-amine
CID 123352487
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
N-methyloct-5-en-2-amine
CID 123529994

Frequently Asked Questions

What is the IUPAC name of 1-imino-N-methylhept-5-en-2-amine?
The IUPAC name of 1-imino-N-methylhept-5-en-2-amine (CID 123138426) is 1-imino-N-methylhept-5-en-2-amine.
What is the SMILES notation for 1-imino-N-methylhept-5-en-2-amine?
The canonical SMILES for 1-imino-N-methylhept-5-en-2-amine is [H]/N=C/C(CCC=CC)NC.
What is the InChIKey of 1-imino-N-methylhept-5-en-2-amine?
The InChIKey is USSOQNCQLBIRBI-IWJFFSHHSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-6-8(7-9)10-2/h3-4,7-10H,5-6H2,1-2H3/b4-3?,9-7+.
What are the key properties of 1-imino-N-methylhept-5-en-2-amine?
1-imino-N-methylhept-5-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-N-methylhept-5-en-2-amine is sourced from PubChem (CID 123138426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).