2-butyl-3-methylhept-3-ene-1,7-diamine

C12H26N2 — CID 123353793

IUPAC2-butyl-3-methylhept-3-ene-1,7-diamine
SMILESCCCCC(CN)C(C)=CCCCN
InChIInChI=1S/C12H26N2/c1-3-4-8-12(10-14)11(2)7-5-6-9-13/h7,12H,3-6,8-10,13-14H2,1-2H3
InChIKeyMXWGBQYVDLCAKB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.44
Rot. Bonds8

About 2-butyl-3-methylhept-3-ene-1,7-diamine

2-butyl-3-methylhept-3-ene-1,7-diamine (PubChem CID 123353793) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-butyl-3-methylhept-3-ene-1,7-diamine.

Molecular Properties

Compound Name2-butyl-3-methylhept-3-ene-1,7-diamine
PubChem CID123353793
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-butyl-3-methylhept-3-ene-1,7-diamine
SMILESCCCCC(CN)C(C)=CCCCN
InChIInChI=1S/C12H26N2/c1-3-4-8-12(10-14)11(2)7-5-6-9-13/h7,12H,3-6,8-10,13-14H2,1-2H3
InChIKeyMXWGBQYVDLCAKB-UHFFFAOYSA-N
XLogP2.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-6-en-1-amine
CID 3016807
2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
CID 49663
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(Cyclohept-4-en-1-yl)methanamine hydrochloride
CID 132300767
[(4Z)-cyclooct-4-en-1-yl]methanamine hydrochloride
CID 132343853
2-Cyclohex-2-en-1-ylethanamine
CID 21432851
Cycloheptene-5-propylamine
CID 22056886
Bis-aminopropyl propylene
CID 54562398
Menthenamine
CID 129691874

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylhept-3-ene-1,7-diamine?
The IUPAC name of 2-butyl-3-methylhept-3-ene-1,7-diamine (CID 123353793) is 2-butyl-3-methylhept-3-ene-1,7-diamine.
What is the SMILES notation for 2-butyl-3-methylhept-3-ene-1,7-diamine?
The canonical SMILES for 2-butyl-3-methylhept-3-ene-1,7-diamine is CCCCC(CN)C(C)=CCCCN.
What is the InChIKey of 2-butyl-3-methylhept-3-ene-1,7-diamine?
The InChIKey is MXWGBQYVDLCAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-8-12(10-14)11(2)7-5-6-9-13/h7,12H,3-6,8-10,13-14H2,1-2H3.
What are the key properties of 2-butyl-3-methylhept-3-ene-1,7-diamine?
2-butyl-3-methylhept-3-ene-1,7-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylhept-3-ene-1,7-diamine is sourced from PubChem (CID 123353793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).