1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine

C14H22N2S — CID 54948428

IUPAC1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESNC1(CN(Cc2cccs2)C2CC2)CCCC1
InChIInChI=1S/C14H22N2S/c15-14(7-1-2-8-14)11-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,1-2,5-8,10-11,15H2
InChIKeyROLNFTLUGURYSR-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.98
Rot. Bonds5

About 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine

1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 54948428) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
PubChem CID54948428
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESNC1(CN(Cc2cccs2)C2CC2)CCCC1
InChIInChI=1S/C14H22N2S/c15-14(7-1-2-8-14)11-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,1-2,5-8,10-11,15H2
InChIKeyROLNFTLUGURYSR-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609943

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine (CID 54948428) is 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine is NC1(CN(Cc2cccs2)C2CC2)CCCC1.
What is the InChIKey of 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is ROLNFTLUGURYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c15-14(7-1-2-8-14)11-16(12-5-6-12)10-13-4-3-9-17-13/h3-4,9,12H,1-2,5-8,10-11,15H2.
What are the key properties of 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine?
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 54948428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).