N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine

C12H26N2O — CID 60853648

IUPACN'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-4-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3
InChIKeyBZQPTFFUSAIDFM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine

N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 60853648) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID60853648
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(2)13-7-4-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3
InChIKeyBZQPTFFUSAIDFM-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Methylamino)tetrahydro-2H-pyran
CID 6991950
N-(oxan-4-yl)piperidin-4-amine
CID 57428704
N-(Propan-2-yl)oxan-4-amine
CID 21709941
N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
N-ethyltetrahydro-2H-pyran-4-amine
CID 10964527
1-(Oxan-4-yl)piperazine
CID 21942315
N-(2-aminoethyl)-N-methyloxan-4-amine
CID 43610817
1-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608634
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 22562145
(3R)-3-methyl-1-(oxan-4-yl)piperazine
CID 86767309

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine (CID 60853648) is N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine is CC(C)NCCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is BZQPTFFUSAIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)13-7-4-8-14(3)12-5-9-15-10-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine?
N'-methyl-N'-(oxan-4-yl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 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-ylpropane-1,3-diamine is sourced from PubChem (CID 60853648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).