N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

C19H30N2 — CID 79537133

IUPACN-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESCC(C)c1ccc(CNC2CCCC2C2CCCN2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)16-10-8-15(9-11-16)13-21-19-6-3-5-17(19)18-7-4-12-20-18/h8-11,14,17-21H,3-7,12-13H2,1-2H3
InChIKeyQGITZKOZNBXKOV-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.82
Rot. Bonds5

About N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine

N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 79537133) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID79537133
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESCC(C)c1ccc(CNC2CCCC2C2CCCN2)cc1
InChIInChI=1S/C19H30N2/c1-14(2)16-10-8-15(9-11-16)13-21-19-6-3-5-17(19)18-7-4-12-20-18/h8-11,14,17-21H,3-7,12-13H2,1-2H3
InChIKeyQGITZKOZNBXKOV-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
N-(2-phenylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543423
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
N-[(2-chlorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545200
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 79537133) is N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is CC(C)c1ccc(CNC2CCCC2C2CCCN2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is QGITZKOZNBXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)16-10-8-15(9-11-16)13-21-19-6-3-5-17(19)18-7-4-12-20-18/h8-11,14,17-21H,3-7,12-13H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).