(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine

C11H18N2S — CID 69494477

IUPAC(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
SMILESN[C@@H](CNC1CCCC1)c1ccsc1
InChIInChI=1S/C11H18N2S/c12-11(9-5-6-14-8-9)7-13-10-3-1-2-4-10/h5-6,8,10-11,13H,1-4,7,12H2/t11-/m0/s1
InChIKeyZWQNPGWWHQDDHO-NSHDSACASA-N
MW210.35 g/mol
LogP2.28
Rot. Bonds4

About (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine

(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 69494477) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID69494477
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
SMILESN[C@@H](CNC1CCCC1)c1ccsc1
InChIInChI=1S/C11H18N2S/c12-11(9-5-6-14-8-9)7-13-10-3-1-2-4-10/h5-6,8,10-11,13H,1-4,7,12H2/t11-/m0/s1
InChIKeyZWQNPGWWHQDDHO-NSHDSACASA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
CID 81015095
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 117244514
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
(S)-cyclobutyl(thiophen-3-yl)methanamine
CID 96933189
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
3-[1-amino-2-(cyclopropylamino)ethyl]phenol
CID 117242576
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine (CID 69494477) is (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine is N[C@@H](CNC1CCCC1)c1ccsc1.
What is the InChIKey of (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is ZWQNPGWWHQDDHO-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2S/c12-11(9-5-6-14-8-9)7-13-10-3-1-2-4-10/h5-6,8,10-11,13H,1-4,7,12H2/t11-/m0/s1.
What are the key properties of (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine?
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 210.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 69494477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).