3-heptyl-2-methyloxiran-2-amine

C10H21NO — CID 74220849

IUPAC3-heptyl-2-methyloxiran-2-amine
SMILESCCCCCCCC1OC1(C)N
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(2,11)12-9/h9H,3-8,11H2,1-2H3
InChIKeyRCCHPRXIOYCJCT-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.42
Rot. Bonds6

About 3-heptyl-2-methyloxiran-2-amine

3-heptyl-2-methyloxiran-2-amine (PubChem CID 74220849) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-heptyl-2-methyloxiran-2-amine.

Molecular Properties

Compound Name3-heptyl-2-methyloxiran-2-amine
PubChem CID74220849
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-heptyl-2-methyloxiran-2-amine
SMILESCCCCCCCC1OC1(C)N
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(2,11)12-9/h9H,3-8,11H2,1-2H3
InChIKeyRCCHPRXIOYCJCT-UHFFFAOYSA-N
XLogP2.42
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.42
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

2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
3-hexadecyloxirane-2,2-diol
CID 18949694
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane
CID 11128263
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
3-butyl-2-fluorooxiran-2-amine
CID 163216689
2-hydroxy-3-nonyloxirane-2-carboxylic acid
CID 141294502
[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]methanamine
CID 58646740
3-octyloxirane-2,2-dicarbonitrile
CID 11241199
(4R,5S)-4-(chloromethyl)-5-dodecyl-2,2-dimethyl-1,3-dioxolane
CID 11782144

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-2-methyloxiran-2-amine?
The IUPAC name of 3-heptyl-2-methyloxiran-2-amine (CID 74220849) is 3-heptyl-2-methyloxiran-2-amine.
What is the SMILES notation for 3-heptyl-2-methyloxiran-2-amine?
The canonical SMILES for 3-heptyl-2-methyloxiran-2-amine is CCCCCCCC1OC1(C)N.
What is the InChIKey of 3-heptyl-2-methyloxiran-2-amine?
The InChIKey is RCCHPRXIOYCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-10(2,11)12-9/h9H,3-8,11H2,1-2H3.
What are the key properties of 3-heptyl-2-methyloxiran-2-amine?
3-heptyl-2-methyloxiran-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-2-methyloxiran-2-amine is sourced from PubChem (CID 74220849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).