1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine

C19H31NS — CID 105167824

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)CC1CC2CCC1C2
InChIInChI=1S/C19H31NS/c1-2-10-20-18(5-3-6-19-7-4-11-21-19)14-17-13-15-8-9-16(17)12-15/h4,7,11,15-18,20H,2-3,5-6,8-10,12-14H2,1H3
InChIKeyGEEBAKSSXNUZJV-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.27
Rot. Bonds9

About 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105167824) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105167824
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)CC1CC2CCC1C2
InChIInChI=1S/C19H31NS/c1-2-10-20-18(5-3-6-19-7-4-11-21-19)14-17-13-15-8-9-16(17)12-15/h4,7,11,15-18,20H,2-3,5-6,8-10,12-14H2,1H3
InChIKeyGEEBAKSSXNUZJV-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine with MolForge

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Related Compounds

1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
CID 115847377
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine (CID 105167824) is 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine is CCCNC(CCCc1cccs1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is GEEBAKSSXNUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-2-10-20-18(5-3-6-19-7-4-11-21-19)14-17-13-15-8-9-16(17)12-15/h4,7,11,15-18,20H,2-3,5-6,8-10,12-14H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 305.53 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105167824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).