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

C11H17NS — CID 43495964

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CC1
InChIInChI=1S/C11H17NS/c1-2-7-12-11(9-5-6-9)10-4-3-8-13-10/h3-4,8-9,11-12H,2,5-7H2,1H3
InChIKeyYMOTXRHVPJQYHL-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.20
Rot. Bonds5

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

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine (PubChem CID 43495964) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
PubChem CID43495964
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CC1
InChIInChI=1S/C11H17NS/c1-2-7-12-11(9-5-6-9)10-4-3-8-13-10/h3-4,8-9,11-12H,2,5-7H2,1H3
InChIKeyYMOTXRHVPJQYHL-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopropyl(thiophen-2-yl)methyl]-2-propylcyclopropan-1-amine
CID 115898671
N-[(1,1-dioxothian-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 113422005

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine (CID 43495964) is N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cccs1)C1CC1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is YMOTXRHVPJQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-7-12-11(9-5-6-9)10-4-3-8-13-10/h3-4,8-9,11-12H,2,5-7H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).