6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine

C12H23N — CID 129142476

IUPAC6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCCCCC(=C)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)12(5)8-6-7-9-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3
InChIKeyAJROUMQRXVEDDK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.49
Rot. Bonds7

About 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine

6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine (PubChem CID 129142476) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine.

Molecular Properties

Compound Name6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine
PubChem CID129142476
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCCCCC(=C)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)12(5)8-6-7-9-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3
InChIKeyAJROUMQRXVEDDK-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylamino-6-methylhepten
CID 23616912
7-methyl-6-methylidene-5-N-propan-2-yloctane-1,5-diamine
CID 134414937
5-Methyl-2-methylidene-6-propan-2-ylazepane
CID 163644778
2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine
CID 163675203
5-fluoro-6-methyl-N-(3-methylbuta-1,3-dien-2-yl)heptan-1-amine
CID 135276332
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine?
The IUPAC name of 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine (CID 129142476) is 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine.
What is the SMILES notation for 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine?
The canonical SMILES for 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine is C=C(C)NCCCCC(=C)C(C)C.
What is the InChIKey of 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine?
The InChIKey is AJROUMQRXVEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12(5)8-6-7-9-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3.
What are the key properties of 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine?
6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidene-N-prop-1-en-2-ylheptan-1-amine is sourced from PubChem (CID 129142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).