1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine

C14H28N2S — CID 107295361

IUPAC1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
SMILESCC(C)N1CCCC(NCC2CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-12(2)16-7-3-4-14(5-8-16)15-10-13-6-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyRTZBFWWNPCTXPS-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds4

About 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine

1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine (PubChem CID 107295361) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
PubChem CID107295361
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
SMILESCC(C)N1CCCC(NCC2CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-12(2)16-7-3-4-14(5-8-16)15-10-13-6-9-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyRTZBFWWNPCTXPS-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 120841663
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 115713087
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine?
The IUPAC name of 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine (CID 107295361) is 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine is CC(C)N1CCCC(NCC2CCSC2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine?
The InChIKey is RTZBFWWNPCTXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12(2)16-7-3-4-14(5-8-16)15-10-13-6-9-17-11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine?
1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine is sourced from PubChem (CID 107295361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).