(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol

C15H23NO — CID 118917713

IUPAC(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-12(2)15(11-17)16(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyJLDLMXJZLKZPKC-OAHLLOKOSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol

(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol (PubChem CID 118917713) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
PubChem CID118917713
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-12(2)15(11-17)16(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyJLDLMXJZLKZPKC-OAHLLOKOSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butan-2-yl]carbamate
CID 131010587
3-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]propanoic acid
CID 119146511
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
N-benzyl-N-(1,1-dimethoxy-4-phenylbut-3-en-2-yl)cyclopropanamine
CID 175523569
(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
2-[benzyl(methyl)amino]-3,3-difluoropropan-1-ol
CID 146267203
(3S)-N-benzyl-N-propan-2-ylpyrrolidin-3-amine
CID 66569418
N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
CID 57368596
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol (CID 118917713) is (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)N(Cc1ccccc1)C1CC1.
What is the InChIKey of (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol?
The InChIKey is JLDLMXJZLKZPKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)15(11-17)16(14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol?
(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 118917713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).