N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride

C14H30ClNO — CID 174337105

IUPACN-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCN(C)CC1CO1.Cl
InChIInChI=1S/C14H29NO.ClH/c1-3-4-5-6-7-8-9-10-11-15(2)12-14-13-16-14;/h14H,3-13H2,1-2H3;1H
InChIKeyNDHWXNMRTGGCNS-UHFFFAOYSA-N
MW263.85 g/mol
LogP3.88
Rot. Bonds11

About N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride

N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride (PubChem CID 174337105) has the molecular formula C14H30ClNO and a molecular weight of 263.85 g/mol. Its IUPAC name is N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
PubChem CID174337105
Molecular FormulaC14H30ClNO
Molecular Weight263.85 g/mol
Exact Mass263.20
IUPAC NameN-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCN(C)CC1CO1.Cl
InChIInChI=1S/C14H29NO.ClH/c1-3-4-5-6-7-8-9-10-11-15(2)12-14-13-16-14;/h14H,3-13H2,1-2H3;1H
InChIKeyNDHWXNMRTGGCNS-UHFFFAOYSA-N
XLogP3.88
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride (CID 174337105) is N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride is CCCCCCCCCCN(C)CC1CO1.Cl.
What is the InChIKey of N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride?
The InChIKey is NDHWXNMRTGGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.ClH/c1-3-4-5-6-7-8-9-10-11-15(2)12-14-13-16-14;/h14H,3-13H2,1-2H3;1H.
What are the key properties of N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride?
N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride has a molecular weight of 263.85 g/mol, XLogP of 3.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride is sourced from PubChem (CID 174337105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).