1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine

C14H30N2O — CID 107505386

IUPAC1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-10-15-13(12-17-3)11-16(5-2)14-8-6-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyDMSRVDGLVITJTJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds9

About 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine

1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine (PubChem CID 107505386) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
PubChem CID107505386
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC)C1CCCC1
InChIInChI=1S/C14H30N2O/c1-4-10-15-13(12-17-3)11-16(5-2)14-8-6-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyDMSRVDGLVITJTJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 62038216
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
CID 107505847
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine (CID 107505386) is 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine is CCCNC(COC)CN(CC)C1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine?
The InChIKey is DMSRVDGLVITJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-10-15-13(12-17-3)11-16(5-2)14-8-6-7-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine?
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).