N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine

C15H31NO2 — CID 62443749

IUPACN-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
SMILESCC(C)CNCCCCCOCC1CCCCO1
InChIInChI=1S/C15H31NO2/c1-14(2)12-16-9-5-3-6-10-17-13-15-8-4-7-11-18-15/h14-16H,3-13H2,1-2H3
InChIKeyBXWVYNPYVKPUDO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine

N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine (PubChem CID 62443749) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
PubChem CID62443749
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
SMILESCC(C)CNCCCCCOCC1CCCCO1
InChIInChI=1S/C15H31NO2/c1-14(2)12-16-9-5-3-6-10-17-13-15-8-4-7-11-18-15/h14-16H,3-13H2,1-2H3
InChIKeyBXWVYNPYVKPUDO-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine (CID 62443749) is N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine is CC(C)CNCCCCCOCC1CCCCO1.
What is the InChIKey of N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine?
The InChIKey is BXWVYNPYVKPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2)12-16-9-5-3-6-10-17-13-15-8-4-7-11-18-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine?
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine is sourced from PubChem (CID 62443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).