N,N-diethyl-6-methylheptan-2-amine

C12H27N — CID 3028627

IUPACN,N-diethyl-6-methylheptan-2-amine
SMILESCCN(CC)C(C)CCCC(C)C
InChIInChI=1S/C12H27N/c1-6-13(7-2)12(5)10-8-9-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyXESUHTYLXVOJGT-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds7

About N,N-diethyl-6-methylheptan-2-amine

N,N-diethyl-6-methylheptan-2-amine (PubChem CID 3028627) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N-diethyl-6-methylheptan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylheptan-2-amine
PubChem CID3028627
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N-diethyl-6-methylheptan-2-amine
SMILESCCN(CC)C(C)CCCC(C)C
InChIInChI=1S/C12H27N/c1-6-13(7-2)12(5)10-8-9-11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyXESUHTYLXVOJGT-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylheptan-2-amine?
The IUPAC name of N,N-diethyl-6-methylheptan-2-amine (CID 3028627) is N,N-diethyl-6-methylheptan-2-amine.
What is the SMILES notation for N,N-diethyl-6-methylheptan-2-amine?
The canonical SMILES for N,N-diethyl-6-methylheptan-2-amine is CCN(CC)C(C)CCCC(C)C.
What is the InChIKey of N,N-diethyl-6-methylheptan-2-amine?
The InChIKey is XESUHTYLXVOJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-13(7-2)12(5)10-8-9-11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N-diethyl-6-methylheptan-2-amine?
N,N-diethyl-6-methylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylheptan-2-amine is sourced from PubChem (CID 3028627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).