4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine

C14H28N2S — CID 54981984

IUPAC4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine
SMILESCN(C1CCCCCC1)C1(CN)CCSCC1
InChIInChI=1S/C14H28N2S/c1-16(13-6-4-2-3-5-7-13)14(12-15)8-10-17-11-9-14/h13H,2-12,15H2,1H3
InChIKeyRDCKKJZKGWSXOH-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.87
Rot. Bonds3

About 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine

4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine (PubChem CID 54981984) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine
PubChem CID54981984
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine
SMILESCN(C1CCCCCC1)C1(CN)CCSCC1
InChIInChI=1S/C14H28N2S/c1-16(13-6-4-2-3-5-7-13)14(12-15)8-10-17-11-9-14/h13H,2-12,15H2,1H3
InChIKeyRDCKKJZKGWSXOH-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Thiomorpholin-4-ylcycloheptyl)methanamine
CID 28787100
4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
[3-(2-Methylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 24692070
2-Propyl-2-thiomorpholin-4-ylpentan-1-amine
CID 28787106
2-Ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine
CID 43210643
[3-(2-Ethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 43266385
4-(aminomethyl)-N-methyl-1-propyl-N-(thiolan-3-yl)piperidin-4-amine
CID 43296501
4-(aminomethyl)-1-ethyl-N-methyl-N-(thiolan-3-yl)piperidin-4-amine
CID 43296502
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine
CID 43296506
N-[1-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
CID 43296510
4-(aminomethyl)-N,1-dimethyl-N-(thiolan-3-yl)piperidin-4-amine
CID 43296512
N-[1-(aminomethyl)cycloheptyl]-N-methylthiolan-3-amine
CID 43296514

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine (CID 54981984) is 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine is CN(C1CCCCCC1)C1(CN)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine?
The InChIKey is RDCKKJZKGWSXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-16(13-6-4-2-3-5-7-13)14(12-15)8-10-17-11-9-14/h13H,2-12,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine?
4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cycloheptyl-N-methylthian-4-amine is sourced from PubChem (CID 54981984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).