N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

C17H27NS — CID 103701416

IUPACN-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NS/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3
InChIKeyLQSQXEMNEQOZHZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103701416) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID103701416
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27NS/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3
InChIKeyLQSQXEMNEQOZHZ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
N-[(4-chloro-3-nitrophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701466
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (CID 103701416) is N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is LQSQXEMNEQOZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-17(2,3)14-7-5-13(6-8-14)12-18-15-9-10-16(11-15)19-4/h5-8,15-16,18H,9-12H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).