cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol

C14H27NO4 — CID 75368118

IUPACcis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
SMILESCOCCOCC1(CNCC2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H27NO4/c1-18-4-5-19-10-14(6-12(16)13(17)7-14)9-15-8-11-2-3-11/h11-13,15-17H,2-10H2,1H3/t12-,13+,14?
InChIKeyXYHCAKGXENVIBM-PBWFPOADSA-N
MW273.37 g/mol
LogP0.15
Rot. Bonds9

About cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol

cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol (PubChem CID 75368118) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
PubChem CID75368118
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namecis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol
SMILESCOCCOCC1(CNCC2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H27NO4/c1-18-4-5-19-10-14(6-12(16)13(17)7-14)9-15-8-11-2-3-11/h11-13,15-17H,2-10H2,1H3/t12-,13+,14?
InChIKeyXYHCAKGXENVIBM-PBWFPOADSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 162796190
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055116
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclohexan-1-ol
CID 106132340
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611
1-cyclopropyl-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724422
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol (CID 75368118) is cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol is COCCOCC1(CNCC2CC2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol?
The InChIKey is XYHCAKGXENVIBM-PBWFPOADSA-N. The full InChI is InChI=1S/C14H27NO4/c1-18-4-5-19-10-14(6-12(16)13(17)7-14)9-15-8-11-2-3-11/h11-13,15-17H,2-10H2,1H3/t12-,13+,14?.
What are the key properties of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol?
cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol has a molecular weight of 273.37 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(2-methoxyethoxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).