N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine

C15H23NS — CID 65009716

IUPACN-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1(c2cccs2)CC2(CCC2)C1
InChIInChI=1S/C15H23NS/c1-2-8-16-12-15(13-5-3-9-17-13)10-14(11-15)6-4-7-14/h3,5,9,16H,2,4,6-8,10-12H2,1H3
InChIKeyQHQBCVARILIDNF-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine

N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine (PubChem CID 65009716) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine
PubChem CID65009716
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine
SMILESCCCNCC1(c2cccs2)CC2(CCC2)C1
InChIInChI=1S/C15H23NS/c1-2-8-16-12-15(13-5-3-9-17-13)10-14(11-15)6-4-7-14/h3,5,9,16H,2,4,6-8,10-12H2,1H3
InChIKeyQHQBCVARILIDNF-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-tert-butyl-1-thiophen-2-ylcyclobutyl)methyl]propan-1-amine
CID 65014479
N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]ethanamine
CID 64998229
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
N-[(3,3-diethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 65001162
1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
CID 65005147
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 64997430
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008193
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007
(1-thiophen-2-ylcyclobutyl)methanol
CID 83682682

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine (CID 65009716) is N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine is CCCNCC1(c2cccs2)CC2(CCC2)C1.
What is the InChIKey of N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine?
The InChIKey is QHQBCVARILIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-8-16-12-15(13-5-3-9-17-13)10-14(11-15)6-4-7-14/h3,5,9,16H,2,4,6-8,10-12H2,1H3.
What are the key properties of N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine?
N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65009716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).