N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane

C11H25NS — CID 163259172

IUPACN,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane
SMILESCC.CN(C)CC1CCCSCC1
InChIInChI=1S/C9H19NS.C2H6/c1-10(2)8-9-4-3-6-11-7-5-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyCRIAGAVKIBYVIL-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.11
Rot. Bonds2

About N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane

N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane (PubChem CID 163259172) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane
PubChem CID163259172
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane
SMILESCC.CN(C)CC1CCCSCC1
InChIInChI=1S/C9H19NS.C2H6/c1-10(2)8-9-4-3-6-11-7-5-9;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyCRIAGAVKIBYVIL-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane (CID 163259172) is N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane is CC.CN(C)CC1CCCSCC1.
What is the InChIKey of N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane?
The InChIKey is CRIAGAVKIBYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-10(2)8-9-4-3-6-11-7-5-9;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane?
N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane has a molecular weight of 203.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(thiepan-4-yl)methanamine;ethane is sourced from PubChem (CID 163259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).