3-ethenyl-2,5-dimethylhept-6-en-1-amine

C11H21N — CID 139449270

IUPAC3-ethenyl-2,5-dimethylhept-6-en-1-amine
SMILESC=CC(C)CC(C=C)C(C)CN
InChIInChI=1S/C11H21N/c1-5-9(3)7-11(6-2)10(4)8-12/h5-6,9-11H,1-2,7-8,12H2,3-4H3
InChIKeyPXHGITUAMZFTIY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.60
Rot. Bonds6

About 3-ethenyl-2,5-dimethylhept-6-en-1-amine

3-ethenyl-2,5-dimethylhept-6-en-1-amine (PubChem CID 139449270) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethenyl-2,5-dimethylhept-6-en-1-amine.

Molecular Properties

Compound Name3-ethenyl-2,5-dimethylhept-6-en-1-amine
PubChem CID139449270
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethenyl-2,5-dimethylhept-6-en-1-amine
SMILESC=CC(C)CC(C=C)C(C)CN
InChIInChI=1S/C11H21N/c1-5-9(3)7-11(6-2)10(4)8-12/h5-6,9-11H,1-2,7-8,12H2,3-4H3
InChIKeyPXHGITUAMZFTIY-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.60
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

(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
3,5,6-trimethyloct-1-ene
CID 90839581
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
(5S)-3,5-dimethyl-6-nitrosohept-1-ene
CID 174002272
(1-amino-3-methylpent-4-enyl)boronic acid
CID 123194636
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
propane-1,2-diamine;prop-1-ene
CID 161476573
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493
3,5,8-trimethylnon-1-ene
CID 123935828
3,6,7,10-tetramethylundec-1-ene
CID 123914302

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5-dimethylhept-6-en-1-amine?
The IUPAC name of 3-ethenyl-2,5-dimethylhept-6-en-1-amine (CID 139449270) is 3-ethenyl-2,5-dimethylhept-6-en-1-amine.
What is the SMILES notation for 3-ethenyl-2,5-dimethylhept-6-en-1-amine?
The canonical SMILES for 3-ethenyl-2,5-dimethylhept-6-en-1-amine is C=CC(C)CC(C=C)C(C)CN.
What is the InChIKey of 3-ethenyl-2,5-dimethylhept-6-en-1-amine?
The InChIKey is PXHGITUAMZFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9(3)7-11(6-2)10(4)8-12/h5-6,9-11H,1-2,7-8,12H2,3-4H3.
What are the key properties of 3-ethenyl-2,5-dimethylhept-6-en-1-amine?
3-ethenyl-2,5-dimethylhept-6-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5-dimethylhept-6-en-1-amine is sourced from PubChem (CID 139449270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).