N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine

C12H27N — CID 123310682

IUPACN,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
SMILESCCCC(C)N(C)CCC(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyGFSPHIPTDQDZNE-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds5

About N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine

N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine (PubChem CID 123310682) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
PubChem CID123310682
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
SMILESCCCC(C)N(C)CCC(C)(C)C
InChIInChI=1S/C12H27N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyGFSPHIPTDQDZNE-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
CID 156542499
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
2-methyl-2-(methylamino)-5-[methyl(pentan-2-yl)amino]pentan-1-ol
CID 64798130
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine (CID 123310682) is N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine is CCCC(C)N(C)CCC(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine?
The InChIKey is GFSPHIPTDQDZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-11(2)13(6)10-9-12(3,4)5/h11H,7-10H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine?
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine is sourced from PubChem (CID 123310682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).