1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide

C16H25N3O — CID 115452807

IUPAC1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CN)CC1
InChIInChI=1S/C16H25N3O/c1-4-19(15(20)16(12-17)9-10-16)11-13-5-7-14(8-6-13)18(2)3/h5-8H,4,9-12,17H2,1-3H3
InChIKeyCIMFTOBJLWTPIQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.84
Rot. Bonds6

About 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide

1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 115452807) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID115452807
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CN)CC1
InChIInChI=1S/C16H25N3O/c1-4-19(15(20)16(12-17)9-10-16)11-13-5-7-14(8-6-13)18(2)3/h5-8H,4,9-12,17H2,1-3H3
InChIKeyCIMFTOBJLWTPIQ-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
CID 120931177
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
CID 115452974
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide (CID 115452807) is 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is CIMFTOBJLWTPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(15(20)16(12-17)9-10-16)11-13-5-7-14(8-6-13)18(2)3/h5-8H,4,9-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).