3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide

C15H30N2O — CID 100643006

IUPAC3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
SMILESCC(C)(C)[C@H](CC1CCCCC1)NC(=O)CCN
InChIInChI=1S/C15H30N2O/c1-15(2,3)13(17-14(18)9-10-16)11-12-7-5-4-6-8-12/h12-13H,4-11,16H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeySAYXCEKIFLVQTR-ZDUSSCGKSA-N
MW254.42 g/mol
LogP2.84
Rot. Bonds5

About 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide

3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide (PubChem CID 100643006) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
PubChem CID100643006
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
SMILESCC(C)(C)[C@H](CC1CCCCC1)NC(=O)CCN
InChIInChI=1S/C15H30N2O/c1-15(2,3)13(17-14(18)9-10-16)11-12-7-5-4-6-8-12/h12-13H,4-11,16H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeySAYXCEKIFLVQTR-ZDUSSCGKSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide (CID 100643006) is 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide is CC(C)(C)[C@H](CC1CCCCC1)NC(=O)CCN.
What is the InChIKey of 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide?
The InChIKey is SAYXCEKIFLVQTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)13(17-14(18)9-10-16)11-12-7-5-4-6-8-12/h12-13H,4-11,16H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide?
3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide is sourced from PubChem (CID 100643006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).