N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 62560903

IUPACN'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNC(C)CCC(C)C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-16(14-8-9-14)11-10-15-13(4)7-6-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyOTOWADJLZYQBOH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds9

About N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (PubChem CID 62560903) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
PubChem CID62560903
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCCN(CCNC(C)CCC(C)C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-16(14-8-9-14)11-10-15-13(4)7-6-12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyOTOWADJLZYQBOH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978705
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62561284
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
CID 62574843
N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 107922937
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-cyclopropyl-N-ethyl-2-(5-methylhexan-2-ylamino)acetamide
CID 63928127
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (CID 62560903) is N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is CCN(CCNC(C)CCC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The InChIKey is OTOWADJLZYQBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-16(14-8-9-14)11-10-15-13(4)7-6-12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62560903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).