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

C16H34N2O — CID 62390433

IUPACN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-6-7-15(4)18(5)13-16(12-17-14(2)3)8-10-19-11-9-16/h14-15,17H,6-13H2,1-5H3
InChIKeyDJSJLJZHLIIRFY-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

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

N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine (PubChem CID 62390433) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine
PubChem CID62390433
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)CC1(CNC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-6-7-15(4)18(5)13-16(12-17-14(2)3)8-10-19-11-9-16/h14-15,17H,6-13H2,1-5H3
InChIKeyDJSJLJZHLIIRFY-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine (CID 62390433) is N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine is CCCC(C)N(C)CC1(CNC(C)C)CCOCC1.
What is the InChIKey of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine?
The InChIKey is DJSJLJZHLIIRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-7-15(4)18(5)13-16(12-17-14(2)3)8-10-19-11-9-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine?
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]pentan-2-amine is sourced from PubChem (CID 62390433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).