N-(2-thiomorpholin-4-ylethyl)heptan-3-amine

C13H28N2S — CID 115719254

IUPACN-(2-thiomorpholin-4-ylethyl)heptan-3-amine
SMILESCCCCC(CC)NCCN1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyVOXHNKHIJNIGMF-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds8

About N-(2-thiomorpholin-4-ylethyl)heptan-3-amine

N-(2-thiomorpholin-4-ylethyl)heptan-3-amine (PubChem CID 115719254) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)heptan-3-amine
PubChem CID115719254
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-thiomorpholin-4-ylethyl)heptan-3-amine
SMILESCCCCC(CC)NCCN1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyVOXHNKHIJNIGMF-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
CID 106326003
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 103783250
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
N-pentylheptan-3-amine
CID 63944300
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
N'-heptan-3-ylethane-1,2-diamine
CID 63945337

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)heptan-3-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)heptan-3-amine (CID 115719254) is N-(2-thiomorpholin-4-ylethyl)heptan-3-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)heptan-3-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)heptan-3-amine is CCCCC(CC)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)heptan-3-amine?
The InChIKey is VOXHNKHIJNIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-5-6-13(4-2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)heptan-3-amine?
N-(2-thiomorpholin-4-ylethyl)heptan-3-amine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)heptan-3-amine is sourced from PubChem (CID 115719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).