N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine

C15H30N2O — CID 55065899

IUPACN-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCN(CC1CC1)CC1(CNC)CCOCC1
InChIInChI=1S/C15H30N2O/c1-3-8-17(11-14-4-5-14)13-15(12-16-2)6-9-18-10-7-15/h14,16H,3-13H2,1-2H3
InChIKeyQAXHVLBVCDJCFF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 55065899) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID55065899
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCN(CC1CC1)CC1(CNC)CCOCC1
InChIInChI=1S/C15H30N2O/c1-3-8-17(11-14-4-5-14)13-15(12-16-2)6-9-18-10-7-15/h14,16H,3-13H2,1-2H3
InChIKeyQAXHVLBVCDJCFF-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
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-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine (CID 55065899) is N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine is CCCN(CC1CC1)CC1(CNC)CCOCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is QAXHVLBVCDJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-17(11-14-4-5-14)13-15(12-16-2)6-9-18-10-7-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55065899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).