4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide

C14H29N3O — CID 79036633

IUPAC4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide
SMILESCC(C)CCN(C1CC1)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)7-8-17(12-5-6-12)13(10-15)9-14(18)16(3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyIXMASVHNOAQGHI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds8

About 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide

4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide (PubChem CID 79036633) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide
PubChem CID79036633
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide
SMILESCC(C)CCN(C1CC1)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)7-8-17(12-5-6-12)13(10-15)9-14(18)16(3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyIXMASVHNOAQGHI-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
4-amino-N-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]butanamide
CID 66430186
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
4-amino-N-cyclopropyl-3-[methyl(3-methylbutyl)amino]butanamide
CID 66430996
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
CID 119292359
6-amino-N-cyclopropyl-N-(3-methylbutyl)hexanamide
CID 54870672

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide (CID 79036633) is 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide is CC(C)CCN(C1CC1)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide?
The InChIKey is IXMASVHNOAQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)7-8-17(12-5-6-12)13(10-15)9-14(18)16(3)4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 79036633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).