N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C17H29NS — CID 81155915

IUPACN-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C17H29NS/c1-4-11-18-16(15-9-7-5-6-8-10-15)17-13(2)12-14(3)19-17/h12,15-16,18H,4-11H2,1-3H3
InChIKeyAHCBLVZDKBJPEP-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.38
Rot. Bonds5

About N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 81155915) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID81155915
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1CCCCCC1
InChIInChI=1S/C17H29NS/c1-4-11-18-16(15-9-7-5-6-8-10-15)17-13(2)12-14(3)19-17/h12,15-16,18H,4-11H2,1-3H3
InChIKeyAHCBLVZDKBJPEP-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
2-[bromo(cycloheptyl)methyl]-3,5-dimethylthiophene
CID 81157820

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 81155915) is N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1C)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is AHCBLVZDKBJPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-11-18-16(15-9-7-5-6-8-10-15)17-13(2)12-14(3)19-17/h12,15-16,18H,4-11H2,1-3H3.
What are the key properties of N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81155915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).