2-methylpent-1-ene-1,1,3,3,5,5-hexamine

C6H18N6 — CID 87381869

IUPAC2-methylpent-1-ene-1,1,3,3,5,5-hexamine
SMILESCC(=C(N)N)C(N)(N)CC(N)N
InChIInChI=1S/C6H18N6/c1-3(5(9)10)6(11,12)2-4(7)8/h4H,2,7-12H2,1H3
InChIKeyBKECQGVOFDQMHG-UHFFFAOYSA-N
MW174.25 g/mol
LogP-2.62
Rot. Bonds3

About 2-methylpent-1-ene-1,1,3,3,5,5-hexamine

2-methylpent-1-ene-1,1,3,3,5,5-hexamine (PubChem CID 87381869) has the molecular formula C6H18N6 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methylpent-1-ene-1,1,3,3,5,5-hexamine.

Molecular Properties

Compound Name2-methylpent-1-ene-1,1,3,3,5,5-hexamine
PubChem CID87381869
Molecular FormulaC6H18N6
Molecular Weight174.25 g/mol
Exact Mass174.16
IUPAC Name2-methylpent-1-ene-1,1,3,3,5,5-hexamine
SMILESCC(=C(N)N)C(N)(N)CC(N)N
InChIInChI=1S/C6H18N6/c1-3(5(9)10)6(11,12)2-4(7)8/h4H,2,7-12H2,1H3
InChIKeyBKECQGVOFDQMHG-UHFFFAOYSA-N
XLogP-2.62
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.25
LogP ≤ 5-2.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexane-1,1,3,3,5,6-hexamine
CID 87119778
2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773
2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
CID 174219039
3,3-dimethylhexane-1,1-diamine
CID 88633791
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
3,6-diamino-4,6-dimethylheptan-2-one
CID 130436042
(4S)-2-methylpentane-2,4-diamine
CID 55284810
2-methylhex-1-ene-1,1,5,5-tetramine
CID 157176517
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
CID 57226667

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-1-ene-1,1,3,3,5,5-hexamine?
The IUPAC name of 2-methylpent-1-ene-1,1,3,3,5,5-hexamine (CID 87381869) is 2-methylpent-1-ene-1,1,3,3,5,5-hexamine.
What is the SMILES notation for 2-methylpent-1-ene-1,1,3,3,5,5-hexamine?
The canonical SMILES for 2-methylpent-1-ene-1,1,3,3,5,5-hexamine is CC(=C(N)N)C(N)(N)CC(N)N.
What is the InChIKey of 2-methylpent-1-ene-1,1,3,3,5,5-hexamine?
The InChIKey is BKECQGVOFDQMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N6/c1-3(5(9)10)6(11,12)2-4(7)8/h4H,2,7-12H2,1H3.
What are the key properties of 2-methylpent-1-ene-1,1,3,3,5,5-hexamine?
2-methylpent-1-ene-1,1,3,3,5,5-hexamine has a molecular weight of 174.25 g/mol, XLogP of -2.62, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-ene-1,1,3,3,5,5-hexamine is sourced from PubChem (CID 87381869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).