N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide

C14H31N3O — CID 119888442

IUPACN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-11(10-15-5)13(18)16-12(14(2,3)4)8-9-17(6)7/h11-12,15H,8-10H2,1-7H3,(H,16,18)
InChIKeyVMRSUHLGKCOUFO-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.32
Rot. Bonds7

About N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119888442) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119888442
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(CCN(C)C)C(C)(C)C
InChIInChI=1S/C14H31N3O/c1-11(10-15-5)13(18)16-12(14(2,3)4)8-9-17(6)7/h11-12,15H,8-10H2,1-7H3,(H,16,18)
InChIKeyVMRSUHLGKCOUFO-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3024638
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N-[3-[(1-cyano-3-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
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N-((1-isopropylpiperidin-4-yl)methyl)pivalamide
CID 16895434
1-N,1-N'-di(propan-2-yl)cyclobutane-1,1-dicarboxamide
CID 84587642
N-methyl-N-(propan-2-yl)piperidine-3-carboxamide
CID 18073102
3,3-dimethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236109
3-methyl-N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236581
N-(3-amino-4-methylpentyl)-N,2-dimethylpropanamide
CID 58326113
1-(4-Amino-3-methylpiperidin-1-yl)propan-1-one hydrochloride
CID 71758334
3-methyl-N-(1-propyl(4-piperidyl))butanamide
CID 17250109
N-(1-ethyl(4-piperidyl))-3,3-dimethylbutanamide
CID 17250345

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide (CID 119888442) is N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(CCN(C)C)C(C)(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is VMRSUHLGKCOUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-11(10-15-5)13(18)16-12(14(2,3)4)8-9-17(6)7/h11-12,15H,8-10H2,1-7H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 257.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119888442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).