N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine

C15H33N — CID 174297704

IUPACN-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine
SMILESCCCC(C)CN(C(C)C(C)C)[C@H](C)CC
InChIInChI=1S/C15H33N/c1-8-10-13(5)11-16(14(6)9-2)15(7)12(3)4/h12-15H,8-11H2,1-7H3/t13?,14-,15?/m1/s1
InChIKeyGMYKXDONPDHUPI-SHARSMKWSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine

N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine (PubChem CID 174297704) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine
PubChem CID174297704
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine
SMILESCCCC(C)CN(C(C)C(C)C)[C@H](C)CC
InChIInChI=1S/C15H33N/c1-8-10-13(5)11-16(14(6)9-2)15(7)12(3)4/h12-15H,8-11H2,1-7H3/t13?,14-,15?/m1/s1
InChIKeyGMYKXDONPDHUPI-SHARSMKWSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
CID 102003612
N-tert-butyl-N-ethyl-2-methylpentan-1-amine
CID 167094301
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
4-methylheptane;propane
CID 142171269
(3R,6R)-3,6-dimethylnonane
CID 170848352
N-butan-2-yl-N-(2-methylpropyl)butan-2-amine
CID 87394017
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine (CID 174297704) is N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine is CCCC(C)CN(C(C)C(C)C)[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine?
The InChIKey is GMYKXDONPDHUPI-SHARSMKWSA-N. The full InChI is InChI=1S/C15H33N/c1-8-10-13(5)11-16(14(6)9-2)15(7)12(3)4/h12-15H,8-11H2,1-7H3/t13?,14-,15?/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine?
N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methyl-N-(3-methylbutan-2-yl)pentan-1-amine is sourced from PubChem (CID 174297704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).