N,3-diethyl-6,6-dimethylheptan-2-amine

C13H29N — CID 61481134

IUPACN,3-diethyl-6,6-dimethylheptan-2-amine
SMILESCCNC(C)C(CC)CCC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-12(11(3)14-8-2)9-10-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyJDUVDCISKHCCSQ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N,3-diethyl-6,6-dimethylheptan-2-amine

N,3-diethyl-6,6-dimethylheptan-2-amine (PubChem CID 61481134) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,3-diethyl-6,6-dimethylheptan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-6,6-dimethylheptan-2-amine
PubChem CID61481134
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,3-diethyl-6,6-dimethylheptan-2-amine
SMILESCCNC(C)C(CC)CCC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-12(11(3)14-8-2)9-10-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyJDUVDCISKHCCSQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-6,6-dimethylheptan-2-amine?
The IUPAC name of N,3-diethyl-6,6-dimethylheptan-2-amine (CID 61481134) is N,3-diethyl-6,6-dimethylheptan-2-amine.
What is the SMILES notation for N,3-diethyl-6,6-dimethylheptan-2-amine?
The canonical SMILES for N,3-diethyl-6,6-dimethylheptan-2-amine is CCNC(C)C(CC)CCC(C)(C)C.
What is the InChIKey of N,3-diethyl-6,6-dimethylheptan-2-amine?
The InChIKey is JDUVDCISKHCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(11(3)14-8-2)9-10-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,3-diethyl-6,6-dimethylheptan-2-amine?
N,3-diethyl-6,6-dimethylheptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-6,6-dimethylheptan-2-amine is sourced from PubChem (CID 61481134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).