1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine

C16H32N2 — CID 113448271

IUPAC1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-4-9-17-16(14-7-5-6-8-14)12-18(3)11-15-10-13(15)2/h13-17H,4-12H2,1-3H3
InChIKeyUEAGDRMDRYBWJX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds8

About 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine

1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine (PubChem CID 113448271) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
PubChem CID113448271
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-4-9-17-16(14-7-5-6-8-14)12-18(3)11-15-10-13(15)2/h13-17H,4-12H2,1-3H3
InChIKeyUEAGDRMDRYBWJX-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 63913660
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
1-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N,N'-dipropylethane-1,2-diamine
CID 104745709
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
N-[1-cyclopentyl-2-(2-methylcyclohexyl)oxyethyl]propan-1-amine
CID 104748751
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine (CID 113448271) is 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine is CCCNC(CN(C)CC1CC1C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine?
The InChIKey is UEAGDRMDRYBWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-9-17-16(14-7-5-6-8-14)12-18(3)11-15-10-13(15)2/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine?
1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 113448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).