N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide

C10H22N2O — CID 167181604

IUPACN-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)CCN(C)C
InChIInChI=1S/C10H22N2O/c1-6-9(2)12(5)10(13)7-8-11(3)4/h9H,6-8H2,1-5H3
InChIKeyAJFROKJXRIPPGW-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.20
Rot. Bonds5

About N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide

N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide (PubChem CID 167181604) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
PubChem CID167181604
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)CCN(C)C
InChIInChI=1S/C10H22N2O/c1-6-9(2)12(5)10(13)7-8-11(3)4/h9H,6-8H2,1-5H3
InChIKeyAJFROKJXRIPPGW-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
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N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
CID 60849883
3-(dimethylamino)-N-methyl-N-(1-phenoxypropan-2-yl)propanamide;hydrochloride
CID 3064445
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
1-(dimethylamino)-4-ethylhexan-3-one
CID 115345730
4-amino-N-butan-2-yl-N,3-dimethylbutanamide
CID 81072119
N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
CID 79286394
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
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15-(dimethylamino)-3-methylpentadecan-4-one
CID 143840613

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide?
The IUPAC name of N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide (CID 167181604) is N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide?
The canonical SMILES for N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide is CCC(C)N(C)C(=O)CCN(C)C.
What is the InChIKey of N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide?
The InChIKey is AJFROKJXRIPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-9(2)12(5)10(13)7-8-11(3)4/h9H,6-8H2,1-5H3.
What are the key properties of N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide?
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide has a molecular weight of 186.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide is sourced from PubChem (CID 167181604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).