N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide

C15H30N2O — CID 79668335

IUPACN-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-4-10-17(12-15(2,3)11-16)14(18)13-8-6-5-7-9-13/h13H,4-12,16H2,1-3H3
InChIKeyDLPBTTQVHGLMIT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide

N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide (PubChem CID 79668335) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
PubChem CID79668335
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-4-10-17(12-15(2,3)11-16)14(18)13-8-6-5-7-9-13/h13H,4-12,16H2,1-3H3
InChIKeyDLPBTTQVHGLMIT-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
CID 79668421
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(3-amino-2,2-dimethylpropyl)-5-methyl-N-propyloxolane-3-carboxamide
CID 114826446
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide (CID 79668335) is N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide is CCCN(CC(C)(C)CN)C(=O)C1CCCCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide?
The InChIKey is DLPBTTQVHGLMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-10-17(12-15(2,3)11-16)14(18)13-8-6-5-7-9-13/h13H,4-12,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide is sourced from PubChem (CID 79668335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).