N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine

C15H32N2O — CID 55052012

IUPACN-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCN(CC1(CNC(C)C)CCOC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-6-8-17(14(4)5)11-15(7-9-18-12-15)10-16-13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyMSDHVYHQFYJKHY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine

N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 55052012) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID55052012
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCN(CC1(CNC(C)C)CCOC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-6-8-17(14(4)5)11-15(7-9-18-12-15)10-16-13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyMSDHVYHQFYJKHY-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 55052012) is N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCN(CC1(CNC(C)C)CCOC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is MSDHVYHQFYJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-8-17(14(4)5)11-15(7-9-18-12-15)10-16-13(2)3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55052012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).