(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine

C15H33N — CID 163425790

IUPAC(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine
SMILESCCCC[C@@H](CCC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-13(16-15(5,6)7)11-12-14(2,3)4/h13,16H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyFPFFZEANBJFYOC-ZDUSSCGKSA-N
MW227.44 g/mol
LogP4.76
Rot. Bonds6

About (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine

(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine (PubChem CID 163425790) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine.

Molecular Properties

Compound Name(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine
PubChem CID163425790
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine
SMILESCCCC[C@@H](CCC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-13(16-15(5,6)7)11-12-14(2,3)4/h13,16H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyFPFFZEANBJFYOC-ZDUSSCGKSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(tert-butylamino)-7,7-dimethyloctan-1-ol
CID 162697107
1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane
CID 160559312
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-(2,4,4-trimethylpentan-2-yl)undecan-6-amine
CID 63445485
2,2,6,7-tetramethylundecane
CID 123602815
N-nonan-5-ylnonan-5-amine
CID 86205180
2,2,5-trimethyl-11-propan-2-ylpentadecane
CID 123879989
2-methoxy-N,2-dimethylnonan-5-amine
CID 103031216
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
2,2,7-trimethylundecane
CID 57491501
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
2,2-dimethylhexane
CID 169424592

Frequently Asked Questions

What is the IUPAC name of (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine?
The IUPAC name of (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine (CID 163425790) is (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine.
What is the SMILES notation for (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine?
The canonical SMILES for (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine is CCCC[C@@H](CCC(C)(C)C)NC(C)(C)C.
What is the InChIKey of (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine?
The InChIKey is FPFFZEANBJFYOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H33N/c1-8-9-10-13(16-15(5,6)7)11-12-14(2,3)4/h13,16H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine?
(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine has a molecular weight of 227.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-tert-butyl-2,2-dimethylnonan-5-amine is sourced from PubChem (CID 163425790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).