N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C14H30N2O — CID 61377686

IUPACN,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(CN)C1CCOC1
InChIInChI=1S/C14H30N2O/c1-11(2)8-16(9-12(3)4)14(7-15)13-5-6-17-10-13/h11-14H,5-10,15H2,1-4H3
InChIKeyISPWQMKRIYSFOS-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.96
Rot. Bonds7

About N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 61377686) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID61377686
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(CN)C1CCOC1
InChIInChI=1S/C14H30N2O/c1-11(2)8-16(9-12(3)4)14(7-15)13-5-6-17-10-13/h11-14H,5-10,15H2,1-4H3
InChIKeyISPWQMKRIYSFOS-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1-(oxolan-3-yl)-N-pentan-3-ylethane-1,2-diamine
CID 79483273
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
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-methyl-N-(2-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 63982239
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61423393
N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61431092
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 61377686) is N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CC(C)CN(CC(C)C)C(CN)C1CCOC1.
What is the InChIKey of N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ISPWQMKRIYSFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)8-16(9-12(3)4)14(7-15)13-5-6-17-10-13/h11-14H,5-10,15H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 61377686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).