N-heptan-4-ylheptan-2-amine

C14H31N — CID 43572732

IUPACN-heptan-4-ylheptan-2-amine
SMILESCCCCCC(C)NC(CCC)CCC
InChIInChI=1S/C14H31N/c1-5-8-9-12-13(4)15-14(10-6-2)11-7-3/h13-15H,5-12H2,1-4H3
InChIKeyOXRMHIUXXSOHPE-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.51
Rot. Bonds10

About N-heptan-4-ylheptan-2-amine

N-heptan-4-ylheptan-2-amine (PubChem CID 43572732) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-heptan-4-ylheptan-2-amine.

Molecular Properties

Compound NameN-heptan-4-ylheptan-2-amine
PubChem CID43572732
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-heptan-4-ylheptan-2-amine
SMILESCCCCCC(C)NC(CCC)CCC
InChIInChI=1S/C14H31N/c1-5-8-9-12-13(4)15-14(10-6-2)11-7-3/h13-15H,5-12H2,1-4H3
InChIKeyOXRMHIUXXSOHPE-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
N-butan-2-ylheptan-4-amine
CID 43190303
N-(4-methoxybutan-2-yl)octan-4-amine
CID 103748088
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(pentadecan-2-ylamino)ethanol
CID 90985657
3-(heptan-2-ylamino)pentanenitrile
CID 61464577
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-ylheptan-2-amine?
The IUPAC name of N-heptan-4-ylheptan-2-amine (CID 43572732) is N-heptan-4-ylheptan-2-amine.
What is the SMILES notation for N-heptan-4-ylheptan-2-amine?
The canonical SMILES for N-heptan-4-ylheptan-2-amine is CCCCCC(C)NC(CCC)CCC.
What is the InChIKey of N-heptan-4-ylheptan-2-amine?
The InChIKey is OXRMHIUXXSOHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-8-9-12-13(4)15-14(10-6-2)11-7-3/h13-15H,5-12H2,1-4H3.
What are the key properties of N-heptan-4-ylheptan-2-amine?
N-heptan-4-ylheptan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-ylheptan-2-amine is sourced from PubChem (CID 43572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).