3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine

C18H36N2O — CID 103060604

IUPAC3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(CC(C)C)C1CCCC1
InChIInChI=1S/C18H36N2O/c1-4-10-19-18-9-11-21-14-16(18)13-20(12-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyZDKCMXRCZWCQGW-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds8

About 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine

3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine (PubChem CID 103060604) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
PubChem CID103060604
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(CC(C)C)C1CCCC1
InChIInChI=1S/C18H36N2O/c1-4-10-19-18-9-11-21-14-16(18)13-20(12-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyZDKCMXRCZWCQGW-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine (CID 103060604) is 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(CC(C)C)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine?
The InChIKey is ZDKCMXRCZWCQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-10-19-18-9-11-21-14-16(18)13-20(12-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3.
What are the key properties of 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine?
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103060604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).