N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

C13H26N2O — CID 62432744

IUPACN-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h11-14H,3-10H2,1-2H3
InChIKeyMZMRMQPGQCGRLK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine

N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62432744) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID62432744
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h11-14H,3-10H2,1-2H3
InChIKeyMZMRMQPGQCGRLK-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 62432744) is N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is CC(CNC1CC1)CN(C)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is MZMRMQPGQCGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(9-14-12-3-4-12)10-15(2)13-5-7-16-8-6-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 226.36 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-cyclopropyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62432744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).