cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol

C13H25NO — CID 129424118

IUPACcis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
SMILESC=CCC[C@H](CC)NC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-10-11-7-6-9-13(11)15/h3,11-15H,1,4-10H2,2H3/t11-,12-,13+/m0/s1
InChIKeySSINQUWNROJDAW-RWMBFGLXSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds7

About cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol

cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 129424118) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
PubChem CID129424118
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namecis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
SMILESC=CCC[C@H](CC)NC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-10-11-7-6-9-13(11)15/h3,11-15H,1,4-10H2,2H3/t11-,12-,13+/m0/s1
InChIKeySSINQUWNROJDAW-RWMBFGLXSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol (CID 129424118) is cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol is C=CCC[C@H](CC)NC[C@@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is SSINQUWNROJDAW-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-10-11-7-6-9-13(11)15/h3,11-15H,1,4-10H2,2H3/t11-,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[[(3S)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 129424118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).