N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline

C18H28N2 — CID 79860710

IUPACN-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H28N2/c1-18(2)11-5-6-17(18)19-16-9-7-15(8-10-16)14-20-12-3-4-13-20/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyJDIKFDHFBAWBKM-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.27
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline

N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 79860710) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID79860710
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC1(C)CCCC1Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H28N2/c1-18(2)11-5-6-17(18)19-16-9-7-15(8-10-16)14-20-12-3-4-13-20/h7-10,17,19H,3-6,11-14H2,1-2H3
InChIKeyJDIKFDHFBAWBKM-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79859948
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
N-(2,2-dimethylcyclopentyl)-4-(triazol-2-yl)aniline
CID 79859529
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline (CID 79860710) is N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline is CC1(C)CCCC1Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is JDIKFDHFBAWBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2)11-5-6-17(18)19-16-9-7-15(8-10-16)14-20-12-3-4-13-20/h7-10,17,19H,3-6,11-14H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline?
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 272.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 79860710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).