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

C14H28N2O — CID 62256319

IUPACN-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CC(C)(C)CNC1CC1)C1CCOCC1
InChIInChI=1S/C14H28N2O/c1-14(2,10-15-12-4-5-12)11-16(3)13-6-8-17-9-7-13/h12-13,15H,4-11H2,1-3H3
InChIKeyPHFUPKIMUZPZEP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

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

N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 62256319) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID62256319
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCN(CC(C)(C)CNC1CC1)C1CCOCC1
InChIInChI=1S/C14H28N2O/c1-14(2,10-15-12-4-5-12)11-16(3)13-6-8-17-9-7-13/h12-13,15H,4-11H2,1-3H3
InChIKeyPHFUPKIMUZPZEP-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 62256319) is N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine is CN(CC(C)(C)CNC1CC1)C1CCOCC1.
What is the InChIKey of N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is PHFUPKIMUZPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,10-15-12-4-5-12)11-16(3)13-6-8-17-9-7-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2,2-trimethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62256319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).