N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine

C15H32N2O — CID 62385415

IUPACN-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-6-9-17(13(3)5-2)15(12-16)14-7-10-18-11-8-14/h13-15H,4-12,16H2,1-3H3
InChIKeyZCFBKAXATIWEDA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds8

About N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine

N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62385415) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62385415
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCCCN(C(C)CC)C(CN)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-6-9-17(13(3)5-2)15(12-16)14-7-10-18-11-8-14/h13-15H,4-12,16H2,1-3H3
InChIKeyZCFBKAXATIWEDA-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386855
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 62386127
N-butyl-1-(oxan-4-yl)-N-phenylethane-1,2-diamine
CID 64585381
1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55034811
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
CID 79483273
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 62385415) is N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine is CCCCN(C(C)CC)C(CN)C1CCOCC1.
What is the InChIKey of N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is ZCFBKAXATIWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-9-17(13(3)5-2)15(12-16)14-7-10-18-11-8-14/h13-15H,4-12,16H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62385415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).