N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide

C18H38BrNO — CID 174322767

IUPACN-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCNCC1CO1
InChIInChI=1S/C18H37NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18;/h18-19H,2-17H2,1H3;1H
InChIKeyQADZFBTYTBVWHF-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.64
Rot. Bonds16

About N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide

N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide (PubChem CID 174322767) has the molecular formula C18H38BrNO and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
PubChem CID174322767
Molecular FormulaC18H38BrNO
Molecular Weight364.41 g/mol
Exact Mass363.21
IUPAC NameN-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCNCC1CO1
InChIInChI=1S/C18H37NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18;/h18-19H,2-17H2,1H3;1H
InChIKeyQADZFBTYTBVWHF-UHFFFAOYSA-N
XLogP5.64
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.64
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

oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
CID 88767306
N,N'-bis(oxiran-2-ylmethyl)butane-1,4-diamine
CID 88786116
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
3-(oxiran-2-ylmethylamino)propan-1-ol
CID 89390680
2-(butoxymethyl)oxirane;N'-octadecylpropane-1,3-diamine
CID 90659639
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide?
The IUPAC name of N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide (CID 174322767) is N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide?
The canonical SMILES for N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide is Br.CCCCCCCCCCCCCCCNCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide?
The InChIKey is QADZFBTYTBVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18;/h18-19H,2-17H2,1H3;1H.
What are the key properties of N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide?
N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide has a molecular weight of 364.41 g/mol, XLogP of 5.64, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)pentadecan-1-amine;hydrobromide is sourced from PubChem (CID 174322767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).