3-methylhept-2-en-2-amine

C8H17N — CID 87258436

IUPAC3-methylhept-2-en-2-amine
SMILESCCCCC(C)=C(C)N
InChIInChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h4-6,9H2,1-3H3
InChIKeyUZNMXQQICZADNT-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.43
Rot. Bonds3

About 3-methylhept-2-en-2-amine

3-methylhept-2-en-2-amine (PubChem CID 87258436) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-methylhept-2-en-2-amine.

Molecular Properties

Compound Name3-methylhept-2-en-2-amine
PubChem CID87258436
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-methylhept-2-en-2-amine
SMILESCCCCC(C)=C(C)N
InChIInChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h4-6,9H2,1-3H3
InChIKeyUZNMXQQICZADNT-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyloctadec-2-en-2-amine
CID 87741791
3-methylhept-2-en-2-ol
CID 73309482
acetamide;pentanamide
CID 158041283
8,9-dimethylhexadec-8-ene
CID 140717938
acetamide;pentanamide;dihydrochloride
CID 141201232
2,3,4-trimethyloct-3-ene
CID 123315350
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
3,4-dimethylocta-1,3-diene
CID 54003351
pentanethioamide;hydrochloride
CID 140974365
2,3-dimethyltridec-2-ene
CID 22376033
2-amino-3-methyl-4-oxooct-2-enoic acid
CID 173202260
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-2-en-2-amine?
The IUPAC name of 3-methylhept-2-en-2-amine (CID 87258436) is 3-methylhept-2-en-2-amine.
What is the SMILES notation for 3-methylhept-2-en-2-amine?
The canonical SMILES for 3-methylhept-2-en-2-amine is CCCCC(C)=C(C)N.
What is the InChIKey of 3-methylhept-2-en-2-amine?
The InChIKey is UZNMXQQICZADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h4-6,9H2,1-3H3.
What are the key properties of 3-methylhept-2-en-2-amine?
3-methylhept-2-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-2-en-2-amine is sourced from PubChem (CID 87258436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).