6-methylhept-6-en-3-amine

C8H17N — CID 89243580

IUPAC6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(N)CC
InChIInChI=1S/C8H17N/c1-4-8(9)6-5-7(2)3/h8H,2,4-6,9H2,1,3H3
InChIKeyOVCUQYUTXGOCKO-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds4

About 6-methylhept-6-en-3-amine

6-methylhept-6-en-3-amine (PubChem CID 89243580) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 6-methylhept-6-en-3-amine.

Molecular Properties

Compound Name6-methylhept-6-en-3-amine
PubChem CID89243580
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(N)CC
InChIInChI=1S/C8H17N/c1-4-8(9)6-5-7(2)3/h8H,2,4-6,9H2,1,3H3
InChIKeyOVCUQYUTXGOCKO-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
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

1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
CID 114475319
8-methylnon-8-en-4-amine
CID 79185360
6-ethyl-2-methyldec-1-en-5-amine
CID 105039210
tetradecane-3,6,9,12-tetramine
CID 140993886
5-ethyl-2-methylnon-1-ene
CID 23205953
methyl (4S)-4-aminohexanoate
CID 130019319
4-amino-N-methylhexanamide
CID 118906510
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
4-aminohexane-1,1-diol
CID 91042814
2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
CID 162196667
2,9-dimethyl-6-methylidenedec-1-en-5-amine
CID 174272112
ethane;hexan-3-amine
CID 143616305

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-6-en-3-amine?
The IUPAC name of 6-methylhept-6-en-3-amine (CID 89243580) is 6-methylhept-6-en-3-amine.
What is the SMILES notation for 6-methylhept-6-en-3-amine?
The canonical SMILES for 6-methylhept-6-en-3-amine is C=C(C)CCC(N)CC.
What is the InChIKey of 6-methylhept-6-en-3-amine?
The InChIKey is OVCUQYUTXGOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-8(9)6-5-7(2)3/h8H,2,4-6,9H2,1,3H3.
What are the key properties of 6-methylhept-6-en-3-amine?
6-methylhept-6-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-6-en-3-amine is sourced from PubChem (CID 89243580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).