(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

C16H24N2O — CID 45264881

IUPAC(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN
InChIInChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3/t14?,16-/m0/s1
InChIKeyFWSXXKQITHMJAY-WMCAAGNKSA-N
MW260.38 g/mol
LogP2.08
Rot. Bonds5

About (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 45264881) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID45264881
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN
InChIInChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3/t14?,16-/m0/s1
InChIKeyFWSXXKQITHMJAY-WMCAAGNKSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Milnacipran Hydrochloride
CID 163701
Phenglutarimide
CID 102669
Sameridine
CID 65996
Levomilnacipran Hydrochloride
CID 6917778
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11622909
Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
gamma-(Aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenylbenzenepropanaminium
CID 8277
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 3033806
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 45264881) is (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is CCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN.
What is the InChIKey of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FWSXXKQITHMJAY-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,17H2,1-3H3/t14?,16-/m0/s1.
What are the key properties of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 45264881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).