(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine

C10H23N — CID 88581583

IUPAC(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CN[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H23N/c1-8(2)7-11-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-/m0/s1
InChIKeyUTBZZYJMDLVNDJ-VIFPVBQESA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds3

About (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine

(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine (PubChem CID 88581583) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
PubChem CID88581583
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CN[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H23N/c1-8(2)7-11-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-/m0/s1
InChIKeyUTBZZYJMDLVNDJ-VIFPVBQESA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine (CID 88581583) is (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine is CC(C)CN[C@@H](C)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine?
The InChIKey is UTBZZYJMDLVNDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N/c1-8(2)7-11-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine?
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 88581583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).