N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine

C15H25NS — CID 55095998

IUPACN-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccs2)CCCCCC1
InChIInChI=1S/C15H25NS/c1-13(2)16-12-15(14-8-7-11-17-14)9-5-3-4-6-10-15/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyVJFOASPPFLTQGI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.34
Rot. Bonds4

About N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine

N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine (PubChem CID 55095998) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
PubChem CID55095998
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccs2)CCCCCC1
InChIInChI=1S/C15H25NS/c1-13(2)16-12-15(14-8-7-11-17-14)9-5-3-4-6-10-15/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyVJFOASPPFLTQGI-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 64997430
N-[(3,3-diethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 65001162
2-[1-(2-methylpropyl)cyclohexyl]thiophene
CID 121406244
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
CID 95156564
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
CID 146535079
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine (CID 55095998) is N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine is CC(C)NCC1(c2cccs2)CCCCCC1.
What is the InChIKey of N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine?
The InChIKey is VJFOASPPFLTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-13(2)16-12-15(14-8-7-11-17-14)9-5-3-4-6-10-15/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine?
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 55095998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).