N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine

C13H29N — CID 158265084

IUPACN,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(C)N(C)[C@@H](C)C(C)C
InChIInChI=1S/C13H29N/c1-10(2)9-13(6,7)14(8)12(5)11(3)4/h10-12H,9H2,1-8H3/t12-/m0/s1
InChIKeyYYDJKKSOPKNFMC-LBPRGKRZSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds5

About N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine

N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine (PubChem CID 158265084) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine
PubChem CID158265084
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine
SMILESCC(C)CC(C)(C)N(C)[C@@H](C)C(C)C
InChIInChI=1S/C13H29N/c1-10(2)9-13(6,7)14(8)12(5)11(3)4/h10-12H,9H2,1-8H3/t12-/m0/s1
InChIKeyYYDJKKSOPKNFMC-LBPRGKRZSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
CID 158159432
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
ethane;N,2,4-trimethyl-N-(3-methylbutyl)pentan-2-amine
CID 157040656
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 66180827
N,2,4-trimethyl-N-(3-methylpentyl)pentan-2-amine
CID 142386094
N-(2,4-dimethylpent-3-en-2-yl)-N,2,4-trimethylpentan-2-amine
CID 130314453
4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
CID 146437345
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
CID 114998070
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
CID 91229612
N,4-dimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 170075954

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine?
The IUPAC name of N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine (CID 158265084) is N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine.
What is the SMILES notation for N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine?
The canonical SMILES for N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine is CC(C)CC(C)(C)N(C)[C@@H](C)C(C)C.
What is the InChIKey of N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine?
The InChIKey is YYDJKKSOPKNFMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H29N/c1-10(2)9-13(6,7)14(8)12(5)11(3)4/h10-12H,9H2,1-8H3/t12-/m0/s1.
What are the key properties of N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine?
N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine is sourced from PubChem (CID 158265084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).