N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

C14H30N2O — CID 55066185

IUPACN-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C(C)C)CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(2)15-10-14(6-8-17-9-7-14)11-16(5)13(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDUUSFXRPCFBBCO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 55066185) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID55066185
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C(C)C)CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(2)15-10-14(6-8-17-9-7-14)11-16(5)13(3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDUUSFXRPCFBBCO-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine (CID 55066185) is N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)C(C)C)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is DUUSFXRPCFBBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)15-10-14(6-8-17-9-7-14)11-16(5)13(3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(propan-2-yl)amino]methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55066185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).