1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine

C14H29N3O — CID 63534762

IUPAC1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-2-3-4-13(15)11-16-6-5-14(12-16)17-7-9-18-10-8-17/h13-14H,2-12,15H2,1H3
InChIKeyCVGBEVNGFWWRDY-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds6

About 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine

1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine (PubChem CID 63534762) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
PubChem CID63534762
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-2-3-4-13(15)11-16-6-5-14(12-16)17-7-9-18-10-8-17/h13-14H,2-12,15H2,1H3
InChIKeyCVGBEVNGFWWRDY-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-ol
CID 64791499
1-morpholin-4-ylhexan-2-amine
CID 60852253
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 107263875
N-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169568
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
5-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 63169783
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
CID 63169684
4-[1-(2-ethylbutyl)piperidin-4-yl]morpholine
CID 39749745
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65447751

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine?
The IUPAC name of 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine (CID 63534762) is 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine.
What is the SMILES notation for 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine?
The canonical SMILES for 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine is CCCCC(N)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine?
The InChIKey is CVGBEVNGFWWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-3-4-13(15)11-16-6-5-14(12-16)17-7-9-18-10-8-17/h13-14H,2-12,15H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine?
1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine is sourced from PubChem (CID 63534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).