2-(heptan-4-ylamino)-N,N-dimethylacetamide

C11H24N2O — CID 43310850

IUPAC2-(heptan-4-ylamino)-N,N-dimethylacetamide
SMILESCCCC(CCC)NCC(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-10(8-6-2)12-9-11(14)13(3)4/h10,12H,5-9H2,1-4H3
InChIKeyVFURDQANOGYVSW-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.63
Rot. Bonds7

About 2-(heptan-4-ylamino)-N,N-dimethylacetamide

2-(heptan-4-ylamino)-N,N-dimethylacetamide (PubChem CID 43310850) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(heptan-4-ylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(heptan-4-ylamino)-N,N-dimethylacetamide
PubChem CID43310850
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(heptan-4-ylamino)-N,N-dimethylacetamide
SMILESCCCC(CCC)NCC(=O)N(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-10(8-6-2)12-9-11(14)13(3)4/h10,12H,5-9H2,1-4H3
InChIKeyVFURDQANOGYVSW-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(heptan-4-ylamino)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
N-ethyl-2-(hexan-3-ylamino)-N-methylacetamide
CID 62119858
N,N-diethyl-2-(hexan-3-ylamino)acetamide
CID 62117829
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
2-(dicyclopropylmethylamino)-N,N-dimethylacetamide
CID 43215170
(3R)-N,N,3-trimethylhexanamide
CID 170848594
(2R)-2-(carbamoylamino)-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 94200506

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-4-ylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(heptan-4-ylamino)-N,N-dimethylacetamide (CID 43310850) is 2-(heptan-4-ylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(heptan-4-ylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(heptan-4-ylamino)-N,N-dimethylacetamide is CCCC(CCC)NCC(=O)N(C)C.
What is the InChIKey of 2-(heptan-4-ylamino)-N,N-dimethylacetamide?
The InChIKey is VFURDQANOGYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-7-10(8-6-2)12-9-11(14)13(3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 2-(heptan-4-ylamino)-N,N-dimethylacetamide?
2-(heptan-4-ylamino)-N,N-dimethylacetamide has a molecular weight of 200.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-4-ylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 43310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).