N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride

C13H31Cl2N3O — CID 119657669

IUPACN-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
SMILESCCN(CC)CC(=O)N(C)CCC(N)C(C)C.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-6-16(7-2)10-13(17)15(5)9-8-12(14)11(3)4;;/h11-12H,6-10,14H2,1-5H3;2*1H
InChIKeyPYRMSTGSJOXWIW-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.00
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride

N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride (PubChem CID 119657669) has the molecular formula C13H31Cl2N3O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
PubChem CID119657669
Molecular FormulaC13H31Cl2N3O
Molecular Weight316.32 g/mol
Exact Mass315.18
IUPAC NameN-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
SMILESCCN(CC)CC(=O)N(C)CCC(N)C(C)C.Cl.Cl
InChIInChI=1S/C13H29N3O.2ClH/c1-6-16(7-2)10-13(17)15(5)9-8-12(14)11(3)4;;/h11-12H,6-10,14H2,1-5H3;2*1H
InChIKeyPYRMSTGSJOXWIW-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride (CID 119657669) is N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride is CCN(CC)CC(=O)N(C)CCC(N)C(C)C.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride?
The InChIKey is PYRMSTGSJOXWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O.2ClH/c1-6-16(7-2)10-13(17)15(5)9-8-12(14)11(3)4;;/h11-12H,6-10,14H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride has a molecular weight of 316.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119657669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).