N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline

C19H30N2 — CID 64762801

IUPACN-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC1CCCC(Nc2ccc(CN3CCCC3)cc2)C1C
InChIInChI=1S/C19H30N2/c1-15-6-5-7-19(16(15)2)20-18-10-8-17(9-11-18)14-21-12-3-4-13-21/h8-11,15-16,19-20H,3-7,12-14H2,1-2H3
InChIKeyYKBVNWZSLWSCLR-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.52
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline

N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 64762801) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID64762801
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC1CCCC(Nc2ccc(CN3CCCC3)cc2)C1C
InChIInChI=1S/C19H30N2/c1-15-6-5-7-19(16(15)2)20-18-10-8-17(9-11-18)14-21-12-3-4-13-21/h8-11,15-16,19-20H,3-7,12-14H2,1-2H3
InChIKeyYKBVNWZSLWSCLR-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64761194
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]oxolan-3-amine
CID 82726679
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline (CID 64762801) is N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline is CC1CCCC(Nc2ccc(CN3CCCC3)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is YKBVNWZSLWSCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-6-5-7-19(16(15)2)20-18-10-8-17(9-11-18)14-21-12-3-4-13-21/h8-11,15-16,19-20H,3-7,12-14H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 286.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 64762801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).