N-(5-methylhexan-2-yl)heptan-4-amine

C14H31N — CID 43097819

IUPACN-(5-methylhexan-2-yl)heptan-4-amine
SMILESCCCC(CCC)NC(C)CCC(C)C
InChIInChI=1S/C14H31N/c1-6-8-14(9-7-2)15-13(5)11-10-12(3)4/h12-15H,6-11H2,1-5H3
InChIKeyNCRPRCSZCGPGDM-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds9

About N-(5-methylhexan-2-yl)heptan-4-amine

N-(5-methylhexan-2-yl)heptan-4-amine (PubChem CID 43097819) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)heptan-4-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)heptan-4-amine
PubChem CID43097819
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-(5-methylhexan-2-yl)heptan-4-amine
SMILESCCCC(CCC)NC(C)CCC(C)C
InChIInChI=1S/C14H31N/c1-6-8-14(9-7-2)15-13(5)11-10-12(3)4/h12-15H,6-11H2,1-5H3
InChIKeyNCRPRCSZCGPGDM-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
N-butan-2-ylheptan-4-amine
CID 43190303
N-heptan-4-ylheptan-2-amine
CID 43572732
2,8-dimethyl-5-propylnonane
CID 57014492
N-(4-methoxybutan-2-yl)octan-4-amine
CID 103748088
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853
(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
2-methylpentane
CID 7892
7-methyloctan-4-ylphosphanium
CID 22349017
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)heptan-4-amine?
The IUPAC name of N-(5-methylhexan-2-yl)heptan-4-amine (CID 43097819) is N-(5-methylhexan-2-yl)heptan-4-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)heptan-4-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)heptan-4-amine is CCCC(CCC)NC(C)CCC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)heptan-4-amine?
The InChIKey is NCRPRCSZCGPGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-8-14(9-7-2)15-13(5)11-10-12(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N-(5-methylhexan-2-yl)heptan-4-amine?
N-(5-methylhexan-2-yl)heptan-4-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)heptan-4-amine is sourced from PubChem (CID 43097819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).