4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

C15H30N2O — CID 114191042

IUPAC4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESC(CCC1CCOCC1)CNCCN1CCCC1
InChIInChI=1S/C15H30N2O/c1(5-15-6-13-18-14-7-15)2-8-16-9-12-17-10-3-4-11-17/h15-16H,1-14H2
InChIKeyLIFBYBNRABHCFF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds8

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

4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (PubChem CID 114191042) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
PubChem CID114191042
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESC(CCC1CCOCC1)CNCCN1CCCC1
InChIInChI=1S/C15H30N2O/c1(5-15-6-13-18-14-7-15)2-8-16-9-12-17-10-3-4-11-17/h15-16H,1-14H2
InChIKeyLIFBYBNRABHCFF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
CID 114191152
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The IUPAC name of 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (CID 114191042) is 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.
What is the SMILES notation for 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The canonical SMILES for 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is C(CCC1CCOCC1)CNCCN1CCCC1.
What is the InChIKey of 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The InChIKey is LIFBYBNRABHCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1(5-15-6-13-18-14-7-15)2-8-16-9-12-17-10-3-4-11-17/h15-16H,1-14H2.
What are the key properties of 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is sourced from PubChem (CID 114191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).