3-methyliminohex-1-ene-1,6-diamine

C7H15N3 — CID 148893345

IUPAC3-methyliminohex-1-ene-1,6-diamine
SMILESC/N=C(\C=CN)CCCN
InChIInChI=1S/C7H15N3/c1-10-7(4-6-9)3-2-5-8/h4,6H,2-3,5,8-9H2,1H3/b6-4?,10-7-
InChIKeyBYNLNTHXEGBMQI-MNMBIJGZSA-N
MW141.22 g/mol
LogP0.27
Rot. Bonds4

About 3-methyliminohex-1-ene-1,6-diamine

3-methyliminohex-1-ene-1,6-diamine (PubChem CID 148893345) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-methyliminohex-1-ene-1,6-diamine.

Molecular Properties

Compound Name3-methyliminohex-1-ene-1,6-diamine
PubChem CID148893345
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-methyliminohex-1-ene-1,6-diamine
SMILESC/N=C(\C=CN)CCCN
InChIInChI=1S/C7H15N3/c1-10-7(4-6-9)3-2-5-8/h4,6H,2-3,5,8-9H2,1H3/b6-4?,10-7-
InChIKeyBYNLNTHXEGBMQI-MNMBIJGZSA-N
XLogP0.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3H-pyrrol-2-yl)propan-1-amine
CID 58381456
CID 58427153
CID 58427153
2-Methylpyridine-3,4-diimine
CID 68113813
4-(3H-pyrrol-2-yl)butan-1-amine
CID 68451847
2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 70629717
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606
(Z)-3-ethenyliminopent-1-ene-1,5-diamine
CID 89018201
(Z)-3-ethyliminobut-1-en-1-amine
CID 89360099
(Z)-3-ethenyliminopent-1-en-1-amine
CID 89969593
2-(3,4-Dihydropyridin-2-yl)ethanamine
CID 118085069

Frequently Asked Questions

What is the IUPAC name of 3-methyliminohex-1-ene-1,6-diamine?
The IUPAC name of 3-methyliminohex-1-ene-1,6-diamine (CID 148893345) is 3-methyliminohex-1-ene-1,6-diamine.
What is the SMILES notation for 3-methyliminohex-1-ene-1,6-diamine?
The canonical SMILES for 3-methyliminohex-1-ene-1,6-diamine is C/N=C(\C=CN)CCCN.
What is the InChIKey of 3-methyliminohex-1-ene-1,6-diamine?
The InChIKey is BYNLNTHXEGBMQI-MNMBIJGZSA-N. The full InChI is InChI=1S/C7H15N3/c1-10-7(4-6-9)3-2-5-8/h4,6H,2-3,5,8-9H2,1H3/b6-4?,10-7-.
What are the key properties of 3-methyliminohex-1-ene-1,6-diamine?
3-methyliminohex-1-ene-1,6-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminohex-1-ene-1,6-diamine is sourced from PubChem (CID 148893345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).