N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine

C11H24N2O — CID 61313425

IUPACN'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)CC1CCOC1
InChIInChI=1S/C11H24N2O/c1-10(2)13(6-3-5-12)8-11-4-7-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyKHVAVMMULFZJAN-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds6

About N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 61313425) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID61313425
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)CC1CCOC1
InChIInChI=1S/C11H24N2O/c1-10(2)13(6-3-5-12)8-11-4-7-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyKHVAVMMULFZJAN-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 61313425) is N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)CC1CCOC1.
What is the InChIKey of N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KHVAVMMULFZJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)13(6-3-5-12)8-11-4-7-14-9-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-ylmethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 61313425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).