[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine

C15H31N3S — CID 65076230

IUPAC[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine
SMILESCCCN1CCCC(CN)(N2CCSCC2C)CC1
InChIInChI=1S/C15H31N3S/c1-3-7-17-8-4-5-15(13-16,6-9-17)18-10-11-19-12-14(18)2/h14H,3-13,16H2,1-2H3
InChIKeyHGEVJEKOTMAPIQ-UHFFFAOYSA-N
MW285.50 g/mol
LogP2.02
Rot. Bonds4

About [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine

[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine (PubChem CID 65076230) has the molecular formula C15H31N3S and a molecular weight of 285.50 g/mol. Its IUPAC name is [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine
PubChem CID65076230
Molecular FormulaC15H31N3S
Molecular Weight285.50 g/mol
Exact Mass285.22
IUPAC Name[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine
SMILESCCCN1CCCC(CN)(N2CCSCC2C)CC1
InChIInChI=1S/C15H31N3S/c1-3-7-17-8-4-5-15(13-16,6-9-17)18-10-11-19-12-14(18)2/h14H,3-13,16H2,1-2H3
InChIKeyHGEVJEKOTMAPIQ-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 115055716
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CID 144346663
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CID 13145806
CID 13145806
CID 24692070
CID 24692070
CID 28787106
CID 28787106
CID 43210636
CID 43210636
CID 43210638
CID 43210638
CID 43210643
CID 43210643
CID 43296501
CID 43296501
CID 43296502
CID 43296502

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine?
The IUPAC name of [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine (CID 65076230) is [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine?
The canonical SMILES for [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine is CCCN1CCCC(CN)(N2CCSCC2C)CC1.
What is the InChIKey of [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine?
The InChIKey is HGEVJEKOTMAPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3S/c1-3-7-17-8-4-5-15(13-16,6-9-17)18-10-11-19-12-14(18)2/h14H,3-13,16H2,1-2H3.
What are the key properties of [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine?
[4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine has a molecular weight of 285.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylthiomorpholin-4-yl)-1-propylazepan-4-yl]methanamine is sourced from PubChem (CID 65076230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).