N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine

C10H22N2O — CID 158109886

IUPACN'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
SMILESCC(C)N(C)CNC1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12(3)8-11-10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyFEORQNKHEHXXQN-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.05
Rot. Bonds4

About N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine

N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine (PubChem CID 158109886) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
PubChem CID158109886
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
SMILESCC(C)N(C)CNC1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12(3)8-11-10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3
InChIKeyFEORQNKHEHXXQN-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 79409399
N-propyloxan-4-amine
CID 18348908
N,N-dimethyl-2-(oxan-4-ylamino)acetamide
CID 43608629
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
N'-(oxan-4-yl)methanediamine
CID 115225482
N-(chloromethyl)oxan-4-amine
CID 115262772

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine?
The IUPAC name of N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine (CID 158109886) is N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine.
What is the SMILES notation for N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine?
The canonical SMILES for N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine is CC(C)N(C)CNC1CCOCC1.
What is the InChIKey of N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine?
The InChIKey is FEORQNKHEHXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12(3)8-11-10-4-6-13-7-5-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine?
N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine has a molecular weight of 186.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 158109886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).