N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine

C16H32N2O — CID 55052067

IUPACN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
SMILESCCCNCC1(CN(CC)C2CCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-12-16(9-11-19-14-16)13-18(4-2)15-7-5-6-8-15/h15,17H,3-14H2,1-2H3
InChIKeyASTGQDSHXMANEZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine

N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine (PubChem CID 55052067) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
PubChem CID55052067
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
SMILESCCCNCC1(CN(CC)C2CCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-12-16(9-11-19-14-16)13-18(4-2)15-7-5-6-8-15/h15,17H,3-14H2,1-2H3
InChIKeyASTGQDSHXMANEZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-butyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62256256
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propane-1,2-diamine
CID 103191387
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62257952
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine (CID 55052067) is N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine is CCCNCC1(CN(CC)C2CCCC2)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine?
The InChIKey is ASTGQDSHXMANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-10-17-12-16(9-11-19-14-16)13-18(4-2)15-7-5-6-8-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine?
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 55052067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).