4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride

C12H25ClN2O — CID 119292359

IUPAC4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
SMILESCC(C)CCN(C(=O)CCCN)C1CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)7-9-14(11-5-6-11)12(15)4-3-8-13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyBHMXHDRSHMKGQC-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride

4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride (PubChem CID 119292359) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
PubChem CID119292359
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
SMILESCC(C)CCN(C(=O)CCCN)C1CC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10(2)7-9-14(11-5-6-11)12(15)4-3-8-13;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyBHMXHDRSHMKGQC-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride (CID 119292359) is 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride is CC(C)CCN(C(=O)CCCN)C1CC1.Cl.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride?
The InChIKey is BHMXHDRSHMKGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10(2)7-9-14(11-5-6-11)12(15)4-3-8-13;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride?
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride is sourced from PubChem (CID 119292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).