N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C18H36N2O — CID 62258948

IUPACN-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCOC)C(C)C2CC2)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-11-19-14-18(9-5-6-10-18)15-20(12-13-21-3)16(2)17-7-8-17/h16-17,19H,4-15H2,1-3H3
InChIKeyGUXYDEGYZAUZSA-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds11

About N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 62258948) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID62258948
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CCOC)C(C)C2CC2)CCCC1
InChIInChI=1S/C18H36N2O/c1-4-11-19-14-18(9-5-6-10-18)15-20(12-13-21-3)16(2)17-7-8-17/h16-17,19H,4-15H2,1-3H3
InChIKeyGUXYDEGYZAUZSA-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 62258948) is N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(CN(CCOC)C(C)C2CC2)CCCC1.
What is the InChIKey of N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is GUXYDEGYZAUZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-11-19-14-18(9-5-6-10-18)15-20(12-13-21-3)16(2)17-7-8-17/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62258948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).