2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol

C14H27NO — CID 106170139

IUPAC2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCCC1=CCCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-9-13-7-5-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyANOOIJZFQLGLKO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.88
Rot. Bonds8

About 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol

2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106170139) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106170139
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCCC1=CCCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-9-13-7-5-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyANOOIJZFQLGLKO-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
[1-(Methylaminomethyl)cyclopent-3-en-1-yl]methanol
CID 54285736
(3-Ethyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262182
3-[[(1S)-4-methylcyclohex-3-en-1-yl]methylamino]propan-1-ol
CID 142067814
[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
CID 156519123
3-[3-(Cyclopenta-1,3-dien-1-ylmethyl)but-3-enylamino]propan-1-ol
CID 163970539
3-[2-(Cyclohexen-1-yl)ethylamino]propan-1-ol
CID 60674340
3-{[(Cyclohex-1-en-1-yl)methyl]amino}propan-1-ol
CID 71347622
4-(Cyclohex-3-en-1-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 75387523
2-[[2-(Cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411299
2-[[2-(Cyclohexen-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 81411398
3-(Cyclohex-3-en-1-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81411955

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol (CID 106170139) is 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCCC1=CCCC1.
What is the InChIKey of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ANOOIJZFQLGLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(4-2,12-16)11-15-10-9-13-7-5-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3.
What are the key properties of 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol?
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106170139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).