N,6-Dimethyl-2-heptanamine

C9H21N — CID 10415

IUPACN,6-dimethylheptan-2-amine
SMILESCC(C)CCCC(C)NC
InChIInChI=1S/C9H21N/c1-8(2)6-5-7-9(3)10-4/h8-10H,5-7H2,1-4H3
InChIKeyKYMRGVJAIFPUPQ-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.80
Rot. Bonds5

About N,6-Dimethyl-2-heptanamine

N,6-Dimethyl-2-heptanamine (PubChem CID 10415) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,6-dimethylheptan-2-amine.

Molecular Properties

Compound NameN,6-Dimethyl-2-heptanamine
PubChem CID10415
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,6-dimethylheptan-2-amine
SMILESCC(C)CCCC(C)NC
InChIInChI=1S/C9H21N/c1-8(2)6-5-7-9(3)10-4/h8-10H,5-7H2,1-4H3
InChIKeyKYMRGVJAIFPUPQ-UHFFFAOYSA-N
XLogP2.80
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Octodrine
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Octamylamine
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5-Ethyl-2-methylpiperidine
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Iproheptine
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Cyclohexaneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 102541
Cyclopentamine Hydrochloride
CID 92798
2-Ethyl-3-(N-methylamino)hexylamine
CID 26635
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
N-Methyl-2-heptanamine
CID 10896
2,4,6-Trimethylpiperidine
CID 89562

Frequently Asked Questions

What is the IUPAC name of N,6-Dimethyl-2-heptanamine?
The IUPAC name of N,6-Dimethyl-2-heptanamine (CID 10415) is N,6-dimethylheptan-2-amine.
What is the SMILES notation for N,6-Dimethyl-2-heptanamine?
The canonical SMILES for N,6-Dimethyl-2-heptanamine is CC(C)CCCC(C)NC.
What is the InChIKey of N,6-Dimethyl-2-heptanamine?
The InChIKey is KYMRGVJAIFPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-8(2)6-5-7-9(3)10-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N,6-Dimethyl-2-heptanamine?
N,6-Dimethyl-2-heptanamine has a molecular weight of 143.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-Dimethyl-2-heptanamine is sourced from PubChem (CID 10415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).