N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

C10H22N2O — CID 63335601

IUPACN'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(2)12(3)6-5-11-10-4-7-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyMQNQWKRDCDFYET-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63335601) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID63335601
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(2)12(3)6-5-11-10-4-7-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyMQNQWKRDCDFYET-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
1-[4-[methyl(propan-2-yl)amino]butyl]-3-(oxolan-3-yl)urea
CID 115758991
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
CID 158109886
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 63335601) is N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CCOC1.
What is the InChIKey of N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MQNQWKRDCDFYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12(3)6-5-11-10-4-7-13-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 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-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63335601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).