1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol

C16H25NOS — CID 103159831

IUPAC1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESOC(CC1CCCC1)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H25NOS/c18-16(9-13-3-1-2-4-13)11-17(15-5-6-15)10-14-7-8-19-12-14/h7-8,12-13,15-16,18H,1-6,9-11H2
InChIKeyVOZLAZPNNFBFID-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.65
Rot. Bonds7

About 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol

1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 103159831) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID103159831
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESOC(CC1CCCC1)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H25NOS/c18-16(9-13-3-1-2-4-13)11-17(15-5-6-15)10-14-7-8-19-12-14/h7-8,12-13,15-16,18H,1-6,9-11H2
InChIKeyVOZLAZPNNFBFID-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713468
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 103159831) is 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol is OC(CC1CCCC1)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is VOZLAZPNNFBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c18-16(9-13-3-1-2-4-13)11-17(15-5-6-15)10-14-7-8-19-12-14/h7-8,12-13,15-16,18H,1-6,9-11H2.
What are the key properties of 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 279.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 103159831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).