N,N-diethyl-3,4-dimethylheptan-2-amine

C13H29N — CID 90920485

IUPACN,N-diethyl-3,4-dimethylheptan-2-amine
SMILESCCCC(C)C(C)C(C)N(CC)CC
InChIInChI=1S/C13H29N/c1-7-10-11(4)12(5)13(6)14(8-2)9-3/h11-13H,7-10H2,1-6H3
InChIKeyOQBVQHKAOWRHTF-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds7

About N,N-diethyl-3,4-dimethylheptan-2-amine

N,N-diethyl-3,4-dimethylheptan-2-amine (PubChem CID 90920485) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,N-diethyl-3,4-dimethylheptan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3,4-dimethylheptan-2-amine
PubChem CID90920485
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,N-diethyl-3,4-dimethylheptan-2-amine
SMILESCCCC(C)C(C)C(C)N(CC)CC
InChIInChI=1S/C13H29N/c1-7-10-11(4)12(5)13(6)14(8-2)9-3/h11-13H,7-10H2,1-6H3
InChIKeyOQBVQHKAOWRHTF-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260
3,4-dimethyl-N-propan-2-ylheptan-2-amine
CID 107886809
3,4,5-trimethyloct-1-ene
CID 123841596
(3R)-3,4-dimethylheptane
CID 59819300
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
5-ethyl-2,6,7-trimethyldecane
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CID 177354730

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dimethylheptan-2-amine?
The IUPAC name of N,N-diethyl-3,4-dimethylheptan-2-amine (CID 90920485) is N,N-diethyl-3,4-dimethylheptan-2-amine.
What is the SMILES notation for N,N-diethyl-3,4-dimethylheptan-2-amine?
The canonical SMILES for N,N-diethyl-3,4-dimethylheptan-2-amine is CCCC(C)C(C)C(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-3,4-dimethylheptan-2-amine?
The InChIKey is OQBVQHKAOWRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-10-11(4)12(5)13(6)14(8-2)9-3/h11-13H,7-10H2,1-6H3.
What are the key properties of N,N-diethyl-3,4-dimethylheptan-2-amine?
N,N-diethyl-3,4-dimethylheptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dimethylheptan-2-amine is sourced from PubChem (CID 90920485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).