1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine

C12H24N2S — CID 62556728

IUPAC1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCCSCC1)C1CC1
InChIInChI=1S/C12H24N2S/c1-11(12-3-4-12)13-5-7-14-6-2-9-15-10-8-14/h11-13H,2-10H2,1H3
InChIKeyQMJATGBCQKGJAB-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds5

About 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (PubChem CID 62556728) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
PubChem CID62556728
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCCSCC1)C1CC1
InChIInChI=1S/C12H24N2S/c1-11(12-3-4-12)13-5-7-14-6-2-9-15-10-8-14/h11-13H,2-10H2,1H3
InChIKeyQMJATGBCQKGJAB-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
CID 107459681
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-cyclopropylethanamine
CID 55160453
1-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 62631760
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
(1S)-1-cycloheptyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81393168
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (CID 62556728) is 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine is CC(NCCN1CCCSCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine?
The InChIKey is QMJATGBCQKGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(12-3-4-12)13-5-7-14-6-2-9-15-10-8-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 62556728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).