1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

C17H36N2 — CID 107869640

IUPAC1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCCNC(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-18-17(16-7-8-16)13-19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyOILNVPPKANRGRS-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds11

About 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine

1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (PubChem CID 107869640) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
PubChem CID107869640
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
SMILESCCNC(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2/c1-6-18-17(16-7-8-16)13-19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyOILNVPPKANRGRS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
N-ethyl-5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161156
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63914297
N-(dicyclopropylmethyl)-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107871429
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
1-cyclopentyl-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745467
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 79092545
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine (CID 107869640) is 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is CCNC(CN(CCC(C)C)CCC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is OILNVPPKANRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-18-17(16-7-8-16)13-19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine?
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107869640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).