oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine

C10H21NO2 — CID 88767306

IUPACoxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
SMILESC1CO1.CCCCCNCC1CO1
InChIInChI=1S/C8H17NO.C2H4O/c1-2-3-4-5-9-6-8-7-10-8;1-2-3-1/h8-9H,2-7H2,1H3;1-2H2
InChIKeyTZXHIXUKZCSADW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds6

About oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine

oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine (PubChem CID 88767306) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Nameoxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
PubChem CID88767306
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameoxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
SMILESC1CO1.CCCCCNCC1CO1
InChIInChI=1S/C8H17NO.C2H4O/c1-2-3-4-5-9-6-8-7-10-8;1-2-3-1/h8-9H,2-7H2,1H3;1-2H2
InChIKeyTZXHIXUKZCSADW-UHFFFAOYSA-N
XLogP1.18
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
CID 174322767
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862
N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
CID 88786116
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
3-(oxiran-2-ylmethylamino)propan-1-ol
CID 89390680
2-hexadecyloxirane;oxirane
CID 175319175
N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769

Frequently Asked Questions

What is the IUPAC name of oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine?
The IUPAC name of oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine (CID 88767306) is oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine?
The canonical SMILES for oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine is C1CO1.CCCCCNCC1CO1.
What is the InChIKey of oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine?
The InChIKey is TZXHIXUKZCSADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H4O/c1-2-3-4-5-9-6-8-7-10-8;1-2-3-1/h8-9H,2-7H2,1H3;1-2H2.
What are the key properties of oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine?
oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 88767306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).