2-(hept-6-en-3-ylideneamino)butan-1-amine

C11H22N2 — CID 123875746

IUPAC2-(hept-6-en-3-ylideneamino)butan-1-amine
SMILESC=CCC/C(CC)=N/C(CC)CN
InChIInChI=1S/C11H22N2/c1-4-7-8-10(5-2)13-11(6-3)9-12/h4,11H,1,5-9,12H2,2-3H3/b13-10+
InChIKeyOFHGPFCCRHRTSD-JLHYYAGUSA-N
MW182.31 g/mol
LogP2.54
Rot. Bonds7

About 2-(hept-6-en-3-ylideneamino)butan-1-amine

2-(hept-6-en-3-ylideneamino)butan-1-amine (PubChem CID 123875746) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(hept-6-en-3-ylideneamino)butan-1-amine.

Molecular Properties

Compound Name2-(hept-6-en-3-ylideneamino)butan-1-amine
PubChem CID123875746
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(hept-6-en-3-ylideneamino)butan-1-amine
SMILESC=CCC/C(CC)=N/C(CC)CN
InChIInChI=1S/C11H22N2/c1-4-7-8-10(5-2)13-11(6-3)9-12/h4,11H,1,5-9,12H2,2-3H3/b13-10+
InChIKeyOFHGPFCCRHRTSD-JLHYYAGUSA-N
XLogP2.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
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

4-(Oct-7-enylideneamino)nona-1,8-dien-5-amine
CID 57271448
5-Imino-6-methylhept-1-en-4-amine
CID 89093635
4-N-hexan-2-ylhex-5-ene-2,4-diimine
CID 123670122
5-Pent-4-en-2-yliminopentan-1-amine
CID 123770418
Ethene;3-methyliminopent-4-en-1-amine
CID 144855770
(2S)-1-[[(Z)-hex-4-en-3-ylidene]amino]propan-2-amine
CID 155000077
(E)-6-(butan-2-ylideneamino)-2-[(Z)-prop-1-enyl]iminohex-5-en-3-amine
CID 156452009
5-Ethyliminoocta-6,7-dien-3-amine
CID 163904487
1-(3H-pyrrol-2-yl)propan-1-amine
CID 160346560

Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-en-3-ylideneamino)butan-1-amine?
The IUPAC name of 2-(hept-6-en-3-ylideneamino)butan-1-amine (CID 123875746) is 2-(hept-6-en-3-ylideneamino)butan-1-amine.
What is the SMILES notation for 2-(hept-6-en-3-ylideneamino)butan-1-amine?
The canonical SMILES for 2-(hept-6-en-3-ylideneamino)butan-1-amine is C=CCC/C(CC)=N/C(CC)CN.
What is the InChIKey of 2-(hept-6-en-3-ylideneamino)butan-1-amine?
The InChIKey is OFHGPFCCRHRTSD-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-8-10(5-2)13-11(6-3)9-12/h4,11H,1,5-9,12H2,2-3H3/b13-10+.
What are the key properties of 2-(hept-6-en-3-ylideneamino)butan-1-amine?
2-(hept-6-en-3-ylideneamino)butan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-en-3-ylideneamino)butan-1-amine is sourced from PubChem (CID 123875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).