(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine

C11H25N — CID 28614527

IUPAC(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NCCC(C)C
InChIInChI=1S/C11H25N/c1-6-10(4)11(5)12-8-7-9(2)3/h9-12H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyRKNMFPKTFWSURB-GHMZBOCLSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine

(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine (PubChem CID 28614527) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
PubChem CID28614527
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NCCC(C)C
InChIInChI=1S/C11H25N/c1-6-10(4)11(5)12-8-7-9(2)3/h9-12H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyRKNMFPKTFWSURB-GHMZBOCLSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3-methylpentan-2-amine
CID 43200990
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
3,7-dimethyl-N-propyloctan-2-amine
CID 83158474
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine?
The IUPAC name of (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine (CID 28614527) is (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine?
The canonical SMILES for (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine is CC[C@@H](C)[C@@H](C)NCCC(C)C.
What is the InChIKey of (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine?
The InChIKey is RKNMFPKTFWSURB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(4)11(5)12-8-7-9(2)3/h9-12H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine?
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 28614527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).