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

C16H32N2O — CID 62256256

IUPACN-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNCCC)CCOC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-18(15-6-7-15)13-16(8-11-19-14-16)12-17-9-4-2/h15,17H,3-14H2,1-2H3
InChIKeyIIWCWWOYRKPDLO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds10

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

N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62256256) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62256256
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(CC1(CNCCC)CCOC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-3-5-10-18(15-6-7-15)13-16(8-11-19-14-16)12-17-9-4-2/h15,17H,3-14H2,1-2H3
InChIKeyIIWCWWOYRKPDLO-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62258163
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-[[4-[[butyl(cyclopropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391501
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
CID 102870849

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62256256) is N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is CCCCN(CC1(CNCCC)CCOC1)C1CC1.
What is the InChIKey of N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is IIWCWWOYRKPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-10-18(15-6-7-15)13-16(8-11-19-14-16)12-17-9-4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62256256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).