3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide

C18H29N3O — CID 119899223

IUPAC3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(N)C1)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-14(21(2)13-15-6-4-3-5-7-15)10-11-20-18(22)16-8-9-17(19)12-16/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22)
InChIKeySLEGNLKVDSXQQL-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.14
Rot. Bonds7

About 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide

3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide (PubChem CID 119899223) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
PubChem CID119899223
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
SMILESCC(CCNC(=O)C1CCC(N)C1)N(C)Cc1ccccc1
InChIInChI=1S/C18H29N3O/c1-14(21(2)13-15-6-4-3-5-7-15)10-11-20-18(22)16-8-9-17(19)12-16/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22)
InChIKeySLEGNLKVDSXQQL-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899255
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
CID 111565556
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide (CID 119899223) is 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide is CC(CCNC(=O)C1CCC(N)C1)N(C)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide?
The InChIKey is SLEGNLKVDSXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(21(2)13-15-6-4-3-5-7-15)10-11-20-18(22)16-8-9-17(19)12-16/h3-7,14,16-17H,8-13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide?
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119899223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).