2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine

C15H30N2S — CID 107456123

IUPAC2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine
SMILESCC1(C)CCN(CC2CCCCCC2N)CCS1
InChIInChI=1S/C15H30N2S/c1-15(2)8-9-17(10-11-18-15)12-13-6-4-3-5-7-14(13)16/h13-14H,3-12,16H2,1-2H3
InChIKeyYAHBQTMVKJQQQK-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.11
Rot. Bonds2

About 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine

2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine (PubChem CID 107456123) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine
PubChem CID107456123
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine
SMILESCC1(C)CCN(CC2CCCCCC2N)CCS1
InChIInChI=1S/C15H30N2S/c1-15(2)8-9-17(10-11-18-15)12-13-6-4-3-5-7-14(13)16/h13-14H,3-12,16H2,1-2H3
InChIKeyYAHBQTMVKJQQQK-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 107459340
2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
CID 63159739
7,7-dimethyl-4-(piperidin-2-ylmethyl)-1,4-thiazepane
CID 107455308
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
7,7-dimethyl-4-(pyrrolidin-2-ylmethyl)-1,4-thiazepane
CID 107455301
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 107459384
2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
CID 62614630
2-(7,7-dimethyl-1,4-thiazepan-4-yl)acetamide
CID 107271958
[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptyl]methanamine
CID 107456185
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986

Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine (CID 107456123) is 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine is CC1(C)CCN(CC2CCCCCC2N)CCS1.
What is the InChIKey of 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is YAHBQTMVKJQQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-15(2)8-9-17(10-11-18-15)12-13-6-4-3-5-7-14(13)16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine?
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 107456123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).