3,6-dimethyl-4-propylhept-6-en-2-amine

C12H25N — CID 134183824

IUPAC3,6-dimethyl-4-propylhept-6-en-2-amine
SMILESC=C(C)CC(CCC)C(C)C(C)N
InChIInChI=1S/C12H25N/c1-6-7-12(8-9(2)3)10(4)11(5)13/h10-12H,2,6-8,13H2,1,3-5H3
InChIKeyLMBBPHSZUHBNTC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About 3,6-dimethyl-4-propylhept-6-en-2-amine

3,6-dimethyl-4-propylhept-6-en-2-amine (PubChem CID 134183824) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,6-dimethyl-4-propylhept-6-en-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-4-propylhept-6-en-2-amine
PubChem CID134183824
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,6-dimethyl-4-propylhept-6-en-2-amine
SMILESC=C(C)CC(CCC)C(C)C(C)N
InChIInChI=1S/C12H25N/c1-6-7-12(8-9(2)3)10(4)11(5)13/h10-12H,2,6-8,13H2,1,3-5H3
InChIKeyLMBBPHSZUHBNTC-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-6-propylnonan-5-amine
CID 105006117
2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
2-methyloct-1-ene-4,5-diol
CID 103454915
3-methylhexane;2-methylprop-1-ene
CID 165405684
2,5-dimethylhex-5-en-3-amine
CID 79177176
2-methyl-5-propyloct-2-en-4-amine
CID 105004866
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124
2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
CID 123243891
5-ethyl-2,4-dimethylnon-1-ene
CID 145461999
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
2,4-dimethylnon-1-ene
CID 55268908
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-propylhept-6-en-2-amine?
The IUPAC name of 3,6-dimethyl-4-propylhept-6-en-2-amine (CID 134183824) is 3,6-dimethyl-4-propylhept-6-en-2-amine.
What is the SMILES notation for 3,6-dimethyl-4-propylhept-6-en-2-amine?
The canonical SMILES for 3,6-dimethyl-4-propylhept-6-en-2-amine is C=C(C)CC(CCC)C(C)C(C)N.
What is the InChIKey of 3,6-dimethyl-4-propylhept-6-en-2-amine?
The InChIKey is LMBBPHSZUHBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-12(8-9(2)3)10(4)11(5)13/h10-12H,2,6-8,13H2,1,3-5H3.
What are the key properties of 3,6-dimethyl-4-propylhept-6-en-2-amine?
3,6-dimethyl-4-propylhept-6-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-propylhept-6-en-2-amine is sourced from PubChem (CID 134183824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).