N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

C17H34N2O — CID 62258163

IUPACN-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNC(C)(C)C)CCOC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-5-6-10-19(15-7-8-15)13-17(9-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3
InChIKeyVHEQPUBNYGHIOZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds8

About N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62258163) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62258163
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNC(C)(C)C)CCOC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-5-6-10-19(15-7-8-15)13-17(9-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3
InChIKeyVHEQPUBNYGHIOZ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256
N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391501
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988
2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637085
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
CID 65481324

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62258163) is N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is CCCCN(CC1(CNC(C)(C)C)CCOC1)C1CC1.
What is the InChIKey of N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is VHEQPUBNYGHIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-6-10-19(15-7-8-15)13-17(9-11-20-14-17)12-18-16(2,3)4/h15,18H,5-14H2,1-4H3.
What are the key properties of N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62258163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).