N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

C17H32N2O — CID 62391501

IUPACN-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNC2CC2)CCOCC1)C1CC1
InChIInChI=1S/C17H32N2O/c1-2-3-10-19(16-6-7-16)14-17(8-11-20-12-9-17)13-18-15-4-5-15/h15-16,18H,2-14H2,1H3
InChIKeyNNKTZPRZPULPJY-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds9

About N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62391501) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62391501
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNC2CC2)CCOCC1)C1CC1
InChIInChI=1S/C17H32N2O/c1-2-3-10-19(16-6-7-16)14-17(8-11-20-12-9-17)13-18-15-4-5-15/h15-16,18H,2-14H2,1H3
InChIKeyNNKTZPRZPULPJY-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62391501) is N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is CCCCN(CC1(CNC2CC2)CCOCC1)C1CC1.
What is the InChIKey of N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is NNKTZPRZPULPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-3-10-19(16-6-7-16)14-17(8-11-20-12-9-17)13-18-15-4-5-15/h15-16,18H,2-14H2,1H3.
What are the key properties of N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62391501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).