2-methyl-5-methylidenehept-6-en-2-amine

C9H17N — CID 126489894

IUPAC2-methyl-5-methylidenehept-6-en-2-amine
SMILESC=CC(=C)CCC(C)(C)N
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3,4)10/h5H,1-2,6-7,10H2,3-4H3
InChIKeyARKMQWMBRRFYLO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-5-methylidenehept-6-en-2-amine

2-methyl-5-methylidenehept-6-en-2-amine (PubChem CID 126489894) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-5-methylidenehept-6-en-2-amine.

Molecular Properties

Compound Name2-methyl-5-methylidenehept-6-en-2-amine
PubChem CID126489894
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-5-methylidenehept-6-en-2-amine
SMILESC=CC(=C)CCC(C)(C)N
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3,4)10/h5H,1-2,6-7,10H2,3-4H3
InChIKeyARKMQWMBRRFYLO-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
2,5-dimethylhex-5-en-2-amine
CID 130178475
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
CID 126670461
2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine
CID 130426171
2-methylhex-5-en-2-amine;hydrobromide
CID 173131592
4-amino-4-methylpentanoic acid
CID 158438218
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
11,11,15-trimethyl-3-methylidenehexadec-1-ene
CID 176767312
3-hydroxy-3-methyl-7-methylidenenona-1,8-dien-1-one
CID 140611138
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
7,7-dimethyl-4,9-dimethylideneundec-10-en-2-amine
CID 146613577
N-tert-butyl-2-methylidenebut-3-en-1-amine
CID 123407105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidenehept-6-en-2-amine?
The IUPAC name of 2-methyl-5-methylidenehept-6-en-2-amine (CID 126489894) is 2-methyl-5-methylidenehept-6-en-2-amine.
What is the SMILES notation for 2-methyl-5-methylidenehept-6-en-2-amine?
The canonical SMILES for 2-methyl-5-methylidenehept-6-en-2-amine is C=CC(=C)CCC(C)(C)N.
What is the InChIKey of 2-methyl-5-methylidenehept-6-en-2-amine?
The InChIKey is ARKMQWMBRRFYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-7-9(3,4)10/h5H,1-2,6-7,10H2,3-4H3.
What are the key properties of 2-methyl-5-methylidenehept-6-en-2-amine?
2-methyl-5-methylidenehept-6-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenehept-6-en-2-amine is sourced from PubChem (CID 126489894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).