1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

C19H29N3O — CID 119835798

IUPAC1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(CN3CCCC3)cc2)CCCCC1
InChIInChI=1S/C19H29N3O/c20-19(10-2-1-3-11-19)18(23)21-14-16-6-8-17(9-7-16)15-22-12-4-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23)
InChIKeySRQHHXBDGRLGNI-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.56
Rot. Bonds5

About 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119835798) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119835798
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(CN3CCCC3)cc2)CCCCC1
InChIInChI=1S/C19H29N3O/c20-19(10-2-1-3-11-19)18(23)21-14-16-6-8-17(9-7-16)15-22-12-4-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23)
InChIKeySRQHHXBDGRLGNI-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
2,2-dichloro-1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51213391
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 119835798) is 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccc(CN3CCCC3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is SRQHHXBDGRLGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c20-19(10-2-1-3-11-19)18(23)21-14-16-6-8-17(9-7-16)15-22-12-4-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23).
What are the key properties of 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119835798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).