4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine

C17H27N3 — CID 79724721

IUPAC4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H27N3/c18-15-5-9-17(10-6-15)19-16-7-3-14(4-8-16)13-20-11-1-2-12-20/h3-4,7-8,15,17,19H,1-2,5-6,9-13,18H2
InChIKeySKZQBDKGQKUDKO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.96
Rot. Bonds4

About 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine

4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine (PubChem CID 79724721) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
PubChem CID79724721
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H27N3/c18-15-5-9-17(10-6-15)19-16-7-3-14(4-8-16)13-20-11-1-2-12-20/h3-4,7-8,15,17,19H,1-2,5-6,9-13,18H2
InChIKeySKZQBDKGQKUDKO-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine (CID 79724721) is 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine is NC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine?
The InChIKey is SKZQBDKGQKUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-15-5-9-17(10-6-15)19-16-7-3-14(4-8-16)13-20-11-1-2-12-20/h3-4,7-8,15,17,19H,1-2,5-6,9-13,18H2.
What are the key properties of 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine?
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79724721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).