N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine

C9H20N2O — CID 61312630

IUPACN'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN)CC1CCOC1
InChIInChI=1S/C9H20N2O/c1-11(5-2-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyQDGIKCCAGDTCMV-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds5

About N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine

N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine (PubChem CID 61312630) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
PubChem CID61312630
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN)CC1CCOC1
InChIInChI=1S/C9H20N2O/c1-11(5-2-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyQDGIKCCAGDTCMV-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107133230
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-(oxolan-3-yl)ethanamine
CID 22355254

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine (CID 61312630) is N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine is CN(CCCN)CC1CCOC1.
What is the InChIKey of N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is QDGIKCCAGDTCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(5-2-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine?
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61312630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).