N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine

C13H27N — CID 166800635

IUPACN,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine
SMILESC=C(CCCCN(C)C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-12H,5,7-10H2,1-4,6H3
InChIKeyGFZAFKITVNHATF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds7

About N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine

N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine (PubChem CID 166800635) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine
PubChem CID166800635
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine
SMILESC=C(CCCCN(C)C(C)C)C(C)C
InChIInChI=1S/C13H27N/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-12H,5,7-10H2,1-4,6H3
InChIKeyGFZAFKITVNHATF-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
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

N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
CID 166770577
10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
N,13-dimethyl-12-methylidene-N-(3-methylpent-1-en-2-yl)tetradecan-1-amine
CID 155245297
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
7-methyl-6-methylideneoctan-1-amine
CID 129099714
8-methyl-7-methylidenenonan-1-amine
CID 174252779
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
CID 66047604

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine?
The IUPAC name of N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine (CID 166800635) is N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine?
The canonical SMILES for N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine is C=C(CCCCN(C)C(C)C)C(C)C.
What is the InChIKey of N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine?
The InChIKey is GFZAFKITVNHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)13(5)9-7-8-10-14(6)12(3)4/h11-12H,5,7-10H2,1-4,6H3.
What are the key properties of N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine?
N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-methylidene-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 166800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).