N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine

C15H32N2O — CID 79483273

IUPACN-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(10-12(3)4)15(9-16)13-7-8-18-11-13/h12-15H,5-11,16H2,1-4H3
InChIKeyQHUBCTYVIXHQAY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds8

About N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine

N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79483273) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79483273
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)C1CCOC1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(10-12(3)4)15(9-16)13-7-8-18-11-13/h12-15H,5-11,16H2,1-4H3
InChIKeyQHUBCTYVIXHQAY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-methyl-N-(2-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 63982239
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385415
1-cyclohexyl-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55001154
4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 79484117
3-butan-2-yloxolane;ethane
CID 143988733
N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63983102
N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61431092

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine (CID 79483273) is N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)C1CCOC1.
What is the InChIKey of N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is QHUBCTYVIXHQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-14(6-2)17(10-12(3)4)15(9-16)13-7-8-18-11-13/h12-15H,5-11,16H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine?
N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79483273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).