N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine

C15H31NO2 — CID 114191011

IUPACN-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
SMILESCCCCOCCNCCCCC1CCOCC1
InChIInChI=1S/C15H31NO2/c1-2-3-11-17-14-10-16-9-5-4-6-15-7-12-18-13-8-15/h15-16H,2-14H2,1H3
InChIKeyXHYZTDUZTMNXDK-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds11

About N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine

N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine (PubChem CID 114191011) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
PubChem CID114191011
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
SMILESCCCCOCCNCCCCC1CCOCC1
InChIInChI=1S/C15H31NO2/c1-2-3-11-17-14-10-16-9-5-4-6-15-7-12-18-13-8-15/h15-16H,2-14H2,1H3
InChIKeyXHYZTDUZTMNXDK-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
CID 114191152
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866
N-[2-(oxan-4-ylsulfanyl)ethyl]pentan-1-amine
CID 62989640
4-cyclopropyl-N-propylbutan-1-amine
CID 57222613
N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine
CID 62990893
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine (CID 114191011) is N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine is CCCCOCCNCCCCC1CCOCC1.
What is the InChIKey of N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine?
The InChIKey is XHYZTDUZTMNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-11-17-14-10-16-9-5-4-6-15-7-12-18-13-8-15/h15-16H,2-14H2,1H3.
What are the key properties of N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine?
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 114191011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).