7-methyl-5-methylidene-N-propan-2-yloctan-2-amine

C13H27N — CID 155037203

IUPAC7-methyl-5-methylidene-N-propan-2-yloctan-2-amine
SMILESC=C(CCC(C)NC(C)C)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-12(5)7-8-13(6)14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3
InChIKeyFOBMOZMBZLQBLD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds7

About 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine

7-methyl-5-methylidene-N-propan-2-yloctan-2-amine (PubChem CID 155037203) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine.

Molecular Properties

Compound Name7-methyl-5-methylidene-N-propan-2-yloctan-2-amine
PubChem CID155037203
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name7-methyl-5-methylidene-N-propan-2-yloctan-2-amine
SMILESC=C(CCC(C)NC(C)C)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-12(5)7-8-13(6)14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3
InChIKeyFOBMOZMBZLQBLD-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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

7-iodo-2-methyl-4-methylidenenonane
CID 118056979
3,6,11-trimethyl-9-methylidenedodec-4-ene
CID 123241851
2,8-dimethyl-5-methylidenenonane
CID 545812
2,6-dimethyl-4-methylideneoctane
CID 12567282
1-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 62569750
4-methyl-2-methylidenepentan-1-amine
CID 55284045
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
CID 166938089
5-N-propan-2-ylhexane-2,5-diamine
CID 139989774
oxalic acid;N-propan-2-ylpentan-2-amine
CID 175913447
2,8-dimethyl-4-methylidenenonan-5-one
CID 121008739
3,7-dimethyl-5-methylideneoctanal
CID 164909395
(4R,6S)-2-methyl-6-(propan-2-ylamino)heptan-4-ol
CID 101198862

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine?
The IUPAC name of 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine (CID 155037203) is 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine.
What is the SMILES notation for 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine?
The canonical SMILES for 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine is C=C(CCC(C)NC(C)C)CC(C)C.
What is the InChIKey of 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine?
The InChIKey is FOBMOZMBZLQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)9-12(5)7-8-13(6)14-11(3)4/h10-11,13-14H,5,7-9H2,1-4,6H3.
What are the key properties of 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine?
7-methyl-5-methylidene-N-propan-2-yloctan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylidene-N-propan-2-yloctan-2-amine is sourced from PubChem (CID 155037203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).