3,4-dimethylhept-6-en-2-amine

C9H19N — CID 131966570

IUPAC3,4-dimethylhept-6-en-2-amine
SMILESC=CCC(C)C(C)C(C)N
InChIInChI=1S/C9H19N/c1-5-6-7(2)8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3
InChIKeyHXEGLVXSWSFZKN-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds4

About 3,4-dimethylhept-6-en-2-amine

3,4-dimethylhept-6-en-2-amine (PubChem CID 131966570) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,4-dimethylhept-6-en-2-amine.

Molecular Properties

Compound Name3,4-dimethylhept-6-en-2-amine
PubChem CID131966570
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,4-dimethylhept-6-en-2-amine
SMILESC=CCC(C)C(C)C(C)N
InChIInChI=1S/C9H19N/c1-5-6-7(2)8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3
InChIKeyHXEGLVXSWSFZKN-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
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

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CID 174149816
5-bromo-4-methylhex-1-ene
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(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide
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2,3-dimethylpentane-1,4-diamine
CID 23031274
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
(4S)-6-methylhept-1-en-4-amine
CID 55284878
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-4-iodopent-1-ene
CID 88562936

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhept-6-en-2-amine?
The IUPAC name of 3,4-dimethylhept-6-en-2-amine (CID 131966570) is 3,4-dimethylhept-6-en-2-amine.
What is the SMILES notation for 3,4-dimethylhept-6-en-2-amine?
The canonical SMILES for 3,4-dimethylhept-6-en-2-amine is C=CCC(C)C(C)C(C)N.
What is the InChIKey of 3,4-dimethylhept-6-en-2-amine?
The InChIKey is HXEGLVXSWSFZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-6-7(2)8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3.
What are the key properties of 3,4-dimethylhept-6-en-2-amine?
3,4-dimethylhept-6-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhept-6-en-2-amine is sourced from PubChem (CID 131966570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).