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

C17H25NS2 — CID 105027664

IUPACN-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2sccc2s1)C1CCCCCC1
InChIInChI=1S/C17H25NS2/c1-2-10-18-17(13-7-5-3-4-6-8-13)16-12-15-14(20-16)9-11-19-15/h9,11-13,17-18H,2-8,10H2,1H3
InChIKeyUULRCFFRSIJYCF-UHFFFAOYSA-N
MW307.53 g/mol
LogP5.97
Rot. Bonds5

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

N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine (PubChem CID 105027664) has the molecular formula C17H25NS2 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
PubChem CID105027664
Molecular FormulaC17H25NS2
Molecular Weight307.53 g/mol
Exact Mass307.14
IUPAC NameN-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2sccc2s1)C1CCCCCC1
InChIInChI=1S/C17H25NS2/c1-2-10-18-17(13-7-5-3-4-6-8-13)16-12-15-14(20-16)9-11-19-15/h9,11-13,17-18H,2-8,10H2,1H3
InChIKeyUULRCFFRSIJYCF-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[cyclopentyl(thieno[3,2-b]pyridin-6-yl)methyl]propan-1-amine
CID 81144181
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine (CID 105027664) is N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine is CCCNC(c1cc2sccc2s1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The InChIKey is UULRCFFRSIJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS2/c1-2-10-18-17(13-7-5-3-4-6-8-13)16-12-15-14(20-16)9-11-19-15/h9,11-13,17-18H,2-8,10H2,1H3.
What are the key properties of N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine has a molecular weight of 307.53 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105027664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).