(2R)-2,6-dimethylhept-5-en-1-amine

C9H19N — CID 163211564

IUPAC(2R)-2,6-dimethylhept-5-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CN
InChIInChI=1S/C9H19N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6-7,10H2,1-3H3/t9-/m1/s1
InChIKeyAELVYGTZFLSGRA-SECBINFHSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About (2R)-2,6-dimethylhept-5-en-1-amine

(2R)-2,6-dimethylhept-5-en-1-amine (PubChem CID 163211564) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2R)-2,6-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name(2R)-2,6-dimethylhept-5-en-1-amine
PubChem CID163211564
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2R)-2,6-dimethylhept-5-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CN
InChIInChI=1S/C9H19N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6-7,10H2,1-3H3/t9-/m1/s1
InChIKeyAELVYGTZFLSGRA-SECBINFHSA-N
XLogP2.33
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 ≤ 52.33
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

(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldeca-1,8-diene
CID 12578605
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
N,2,6-trimethylhept-5-en-1-amine
CID 146817482
2,6,10-trimethylundec-2-ene
CID 14805750
(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol
CID 138375732
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
(6S)-2,6-dimethyl-8-methylselanyloct-2-ene
CID 101158479

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-dimethylhept-5-en-1-amine?
The IUPAC name of (2R)-2,6-dimethylhept-5-en-1-amine (CID 163211564) is (2R)-2,6-dimethylhept-5-en-1-amine.
What is the SMILES notation for (2R)-2,6-dimethylhept-5-en-1-amine?
The canonical SMILES for (2R)-2,6-dimethylhept-5-en-1-amine is CC(C)=CCC[C@@H](C)CN.
What is the InChIKey of (2R)-2,6-dimethylhept-5-en-1-amine?
The InChIKey is AELVYGTZFLSGRA-SECBINFHSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6-7,10H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2,6-dimethylhept-5-en-1-amine?
(2R)-2,6-dimethylhept-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dimethylhept-5-en-1-amine is sourced from PubChem (CID 163211564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).