4-amino-N-(cyclopropylmethyl)-N-methylbutanamide

C9H18N2O — CID 60946266

IUPAC4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
SMILESCN(CC1CC1)C(=O)CCCN
InChIInChI=1S/C9H18N2O/c1-11(7-8-4-5-8)9(12)3-2-6-10/h8H,2-7,10H2,1H3
InChIKeyODAURPSVIINEBE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide

4-amino-N-(cyclopropylmethyl)-N-methylbutanamide (PubChem CID 60946266) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
PubChem CID60946266
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
SMILESCN(CC1CC1)C(=O)CCCN
InChIInChI=1S/C9H18N2O/c1-11(7-8-4-5-8)9(12)3-2-6-10/h8H,2-7,10H2,1H3
InChIKeyODAURPSVIINEBE-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60946402
N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
CID 119784610
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 112739036
3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide (CID 60946266) is 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide is CN(CC1CC1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide?
The InChIKey is ODAURPSVIINEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(7-8-4-5-8)9(12)3-2-6-10/h8H,2-7,10H2,1H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide?
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-methylbutanamide is sourced from PubChem (CID 60946266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).