2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide

C12H24N2O — CID 114290733

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
SMILESCCN(CC1CC1)C(=O)C(C)(CC)CN
InChIInChI=1S/C12H24N2O/c1-4-12(3,9-13)11(15)14(5-2)8-10-6-7-10/h10H,4-9,13H2,1-3H3
InChIKeyPCHDQWLBSNBOPA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds6

About 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide

2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide (PubChem CID 114290733) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
PubChem CID114290733
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
SMILESCCN(CC1CC1)C(=O)C(C)(CC)CN
InChIInChI=1S/C12H24N2O/c1-4-12(3,9-13)11(15)14(5-2)8-10-6-7-10/h10H,4-9,13H2,1-3H3
InChIKeyPCHDQWLBSNBOPA-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide (CID 114290733) is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide is CCN(CC1CC1)C(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide?
The InChIKey is PCHDQWLBSNBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(3,9-13)11(15)14(5-2)8-10-6-7-10/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide?
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 114290733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).