4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine

C14H27N3O — CID 63169926

IUPAC4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESNC1CCC(N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c15-12-1-3-13(4-2-12)17-6-5-14(11-17)16-7-9-18-10-8-16/h12-14H,1-11,15H2
InChIKeyXBQLDTQEOBGGRP-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds2

About 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine

4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 63169926) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID63169926
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESNC1CCC(N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c15-12-1-3-13(4-2-12)17-6-5-14(11-17)16-7-9-18-10-8-16/h12-14H,1-11,15H2
InChIKeyXBQLDTQEOBGGRP-UHFFFAOYSA-N
XLogP0.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
4-cyclopropylmorpholine;ethane
CID 155594914
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
4-(1-sulfanylpiperidin-4-yl)morpholine
CID 123604747
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
1-(4-aminocyclohexyl)piperidin-4-ol;methane
CID 146013506
1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552664
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
[2-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 63171645
8-(1-cyclopropylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738814
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine (CID 63169926) is 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine is NC1CCC(N2CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is XBQLDTQEOBGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-12-1-3-13(4-2-12)17-6-5-14(11-17)16-7-9-18-10-8-16/h12-14H,1-11,15H2.
What are the key properties of 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine?
4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 63169926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).