1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide

C17H27N3O — CID 81171767

IUPAC1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1(N)CCC1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-16(21)17(18)10-7-11-17/h5-6,8-9H,3-4,7,10-13,18H2,1-2H3,(H,19,21)
InChIKeyBKRHUNJYJAACHL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.03
Rot. Bonds7

About 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 81171767) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID81171767
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1(N)CCC1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-16(21)17(18)10-7-11-17/h5-6,8-9H,3-4,7,10-13,18H2,1-2H3,(H,19,21)
InChIKeyBKRHUNJYJAACHL-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013782
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 81171767) is 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is BKRHUNJYJAACHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-16(21)17(18)10-7-11-17/h5-6,8-9H,3-4,7,10-13,18H2,1-2H3,(H,19,21).
What are the key properties of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).