(1-dodecylaziridin-2-yl)methanol

C15H31NO — CID 87744504

IUPAC(1-dodecylaziridin-2-yl)methanol
SMILESCCCCCCCCCCCCN1CC1CO
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(16)14-17/h15,17H,2-14H2,1H3
InChIKeyRZMOXTXZICIRPL-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.58
Rot. Bonds12

About (1-dodecylaziridin-2-yl)methanol

(1-dodecylaziridin-2-yl)methanol (PubChem CID 87744504) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (1-dodecylaziridin-2-yl)methanol.

Molecular Properties

Compound Name(1-dodecylaziridin-2-yl)methanol
PubChem CID87744504
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(1-dodecylaziridin-2-yl)methanol
SMILESCCCCCCCCCCCCN1CC1CO
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(16)14-17/h15,17H,2-14H2,1H3
InChIKeyRZMOXTXZICIRPL-UHFFFAOYSA-N
XLogP3.58
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
N-[5-(hydroxymethyl)-1-nonylpyrrolidin-3-yl]acetamide
CID 77270059
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
CID 156651627
1-heptyl-2-methylaziridine
CID 142378837
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(1-butylaziridin-2-yl)methanesulfonic acid
CID 101099495
2-benzyl-1-octylaziridine
CID 102467094

Frequently Asked Questions

What is the IUPAC name of (1-dodecylaziridin-2-yl)methanol?
The IUPAC name of (1-dodecylaziridin-2-yl)methanol (CID 87744504) is (1-dodecylaziridin-2-yl)methanol.
What is the SMILES notation for (1-dodecylaziridin-2-yl)methanol?
The canonical SMILES for (1-dodecylaziridin-2-yl)methanol is CCCCCCCCCCCCN1CC1CO.
What is the InChIKey of (1-dodecylaziridin-2-yl)methanol?
The InChIKey is RZMOXTXZICIRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(16)14-17/h15,17H,2-14H2,1H3.
What are the key properties of (1-dodecylaziridin-2-yl)methanol?
(1-dodecylaziridin-2-yl)methanol has a molecular weight of 241.42 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecylaziridin-2-yl)methanol is sourced from PubChem (CID 87744504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).