3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide

C15H30N2O — CID 113496982

IUPAC3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
SMILESCCCN(CC1CC1)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-5-8-17(11-12-6-7-12)14(18)9-13(16)10-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyFBPVGACJUQBTHA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds7

About 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide

3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide (PubChem CID 113496982) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
PubChem CID113496982
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
SMILESCCCN(CC1CC1)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-5-8-17(11-12-6-7-12)14(18)9-13(16)10-15(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyFBPVGACJUQBTHA-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide (CID 113496982) is 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide is CCCN(CC1CC1)C(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide?
The InChIKey is FBPVGACJUQBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-8-17(11-12-6-7-12)14(18)9-13(16)10-15(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide?
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide is sourced from PubChem (CID 113496982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).