N-ethyl-N,3,5-trimethylheptan-1-amine

C12H27N — CID 123997066

IUPACN-ethyl-N,3,5-trimethylheptan-1-amine
SMILESCCC(C)CC(C)CCN(C)CC
InChIInChI=1S/C12H27N/c1-6-11(3)10-12(4)8-9-13(5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyPTRHLTQSWKVJND-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-N,3,5-trimethylheptan-1-amine

N-ethyl-N,3,5-trimethylheptan-1-amine (PubChem CID 123997066) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethylheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethylheptan-1-amine
PubChem CID123997066
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-N,3,5-trimethylheptan-1-amine
SMILESCCC(C)CC(C)CCN(C)CC
InChIInChI=1S/C12H27N/c1-6-11(3)10-12(4)8-9-13(5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyPTRHLTQSWKVJND-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
3,5-dimethylheptane;ethane
CID 172617343
2,4,7,9-tetramethylundecane
CID 91346710
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
3,5,7,9-tetramethyldodecane
CID 91047062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethylheptan-1-amine?
The IUPAC name of N-ethyl-N,3,5-trimethylheptan-1-amine (CID 123997066) is N-ethyl-N,3,5-trimethylheptan-1-amine.
What is the SMILES notation for N-ethyl-N,3,5-trimethylheptan-1-amine?
The canonical SMILES for N-ethyl-N,3,5-trimethylheptan-1-amine is CCC(C)CC(C)CCN(C)CC.
What is the InChIKey of N-ethyl-N,3,5-trimethylheptan-1-amine?
The InChIKey is PTRHLTQSWKVJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-11(3)10-12(4)8-9-13(5)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N,3,5-trimethylheptan-1-amine?
N-ethyl-N,3,5-trimethylheptan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethylheptan-1-amine is sourced from PubChem (CID 123997066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).