3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride

C14H29ClN2O — CID 119337805

IUPAC3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
SMILESCC(C)(C)C1CCC(CNC(=O)CCN)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyPTZMYVDXSQAKRM-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride

3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride (PubChem CID 119337805) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
PubChem CID119337805
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
SMILESCC(C)(C)C1CCC(CNC(=O)CCN)CC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyPTZMYVDXSQAKRM-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide
CID 119337806
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride (CID 119337805) is 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride is CC(C)(C)C1CCC(CNC(=O)CCN)CC1.Cl.
What is the InChIKey of 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
The InChIKey is PTZMYVDXSQAKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-14(2,3)12-6-4-11(5-7-12)10-16-13(17)8-9-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride?
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119337805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).