1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine

C14H28N2S — CID 107459681

IUPAC1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCSC(C)(C)CC1)C1CC1
InChIInChI=1S/C14H28N2S/c1-12(13-4-5-13)15-7-9-16-8-6-14(2,3)17-11-10-16/h12-13,15H,4-11H2,1-3H3
InChIKeySWUNVHHNJWCHGZ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds5

About 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine (PubChem CID 107459681) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
PubChem CID107459681
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
SMILESCC(NCCN1CCSC(C)(C)CC1)C1CC1
InChIInChI=1S/C14H28N2S/c1-12(13-4-5-13)15-7-9-16-8-6-14(2,3)17-11-10-16/h12-13,15H,4-11H2,1-3H3
InChIKeySWUNVHHNJWCHGZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107459702
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-cyclopropylethanamine
CID 55160453
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]pentan-2-amine
CID 107459657
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029
1-cyclopropyl-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]ethanamine
CID 63620008
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
4-(2-fluoroethyl)-7,7-dimethyl-1,4-thiazepane
CID 130739897
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107459695

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine (CID 107459681) is 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine is CC(NCCN1CCSC(C)(C)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine?
The InChIKey is SWUNVHHNJWCHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12(13-4-5-13)15-7-9-16-8-6-14(2,3)17-11-10-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 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-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 107459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).