N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine

C16H28N2S — CID 115445033

IUPACN-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCC2(CN)CCCCCC2)sc1C
InChIInChI=1S/C16H28N2S/c1-13-9-15(19-14(13)2)10-18-12-16(11-17)7-5-3-4-6-8-16/h9,18H,3-8,10-12,17H2,1-2H3
InChIKeyOSRSPLFROKNFFP-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.75
Rot. Bonds5

About N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine

N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 115445033) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID115445033
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCC2(CN)CCCCCC2)sc1C
InChIInChI=1S/C16H28N2S/c1-13-9-15(19-14(13)2)10-18-12-16(11-17)7-5-3-4-6-8-16/h9,18H,3-8,10-12,17H2,1-2H3
InChIKeyOSRSPLFROKNFFP-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81171143
1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 65241401
4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]oxan-4-amine
CID 113280989
1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
CID 65241098
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554
1-(4-bromo-5-methylthiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 102836509
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropropan-1-amine
CID 81105748
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine (CID 115445033) is N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(CNCC2(CN)CCCCCC2)sc1C.
What is the InChIKey of N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is OSRSPLFROKNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-9-15(19-14(13)2)10-18-12-16(11-17)7-5-3-4-6-8-16/h9,18H,3-8,10-12,17H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine?
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 280.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 115445033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).