4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol

C11H22N2O — CID 105451787

IUPAC4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
SMILESNCC1(N2CCCC2)CCC(O)CC1
InChIInChI=1S/C11H22N2O/c12-9-11(13-7-1-2-8-13)5-3-10(14)4-6-11/h10,14H,1-9,12H2
InChIKeyXHVWQAXYBYKKNS-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol

4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 105451787) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID105451787
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
SMILESNCC1(N2CCCC2)CCC(O)CC1
InChIInChI=1S/C11H22N2O/c12-9-11(13-7-1-2-8-13)5-3-10(14)4-6-11/h10,14H,1-9,12H2
InChIKeyXHVWQAXYBYKKNS-UHFFFAOYSA-N
XLogP0.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
CID 82398069
(3-pyrrolidin-1-ylazetidin-3-yl)methanamine
CID 105430429
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62976371
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757802

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol (CID 105451787) is 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol is NCC1(N2CCCC2)CCC(O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is XHVWQAXYBYKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-9-11(13-7-1-2-8-13)5-3-10(14)4-6-11/h10,14H,1-9,12H2.
What are the key properties of 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol?
4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 105451787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).