1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine

C13H26N2 — CID 63913660

IUPAC1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-8-14-13(12-6-7-12)10-15(2)9-11-4-5-11/h11-14H,3-10H2,1-2H3
InChIKeyIKDNETUTRRWTBG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds8

About 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine

1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 63913660) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID63913660
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-8-14-13(12-6-7-12)10-15(2)9-11-4-5-11/h11-14H,3-10H2,1-2H3
InChIKeyIKDNETUTRRWTBG-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
1-cyclopentyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-propylethane-1,2-diamine
CID 113448271
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365
1-cyclopropyl-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63913678
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63468848
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine (CID 63913660) is 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNC(CN(C)CC1CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is IKDNETUTRRWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-8-14-13(12-6-7-12)10-15(2)9-11-4-5-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63913660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).