N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

C12H24N2O — CID 60867673

IUPACN-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CCCNC1CC1)C1CCOCC1
InChIInChI=1S/C12H24N2O/c1-14(12-5-9-15-10-6-12)8-2-7-13-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyPQUPWTYITVIEQI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds6

About N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine

N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 60867673) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID60867673
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CCCNC1CC1)C1CCOCC1
InChIInChI=1S/C12H24N2O/c1-14(12-5-9-15-10-6-12)8-2-7-13-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyPQUPWTYITVIEQI-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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

N-(Propan-2-yl)oxan-4-amine
CID 21709941
N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
N-Cyclopropyltetrahydro-2H-pyran-4-amine
CID 6991952
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
3-fluoro-N-propan-2-yloxan-4-amine
CID 124162760
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
CID 153498427
(3R,4S)-3-fluoro-N-propan-2-yloxan-4-amine
CID 169842784
1-(3-Butoxypropyl)piperidin-4-amine
CID 18001923
(3-pyrrolidin-1-ylpropyl)tetrahydro-2H-pyran-4-ylamine
CID 18349058
N-(3-butoxypropyl)piperidin-4-amine
CID 20735437

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 60867673) is N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is CN(CCCNC1CC1)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is PQUPWTYITVIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(12-5-9-15-10-6-12)8-2-7-13-11-3-4-11/h11-13H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine?
N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 60867673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).