N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine

C11H26N2 — CID 61386594

IUPACN'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(CC)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-7-12-8-9-13(6-2)10-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyMSUNJSICKQADJA-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds8

About N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine

N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine (PubChem CID 61386594) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
PubChem CID61386594
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(CC)CC(C)C
InChIInChI=1S/C11H26N2/c1-5-7-12-8-9-13(6-2)10-11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyMSUNJSICKQADJA-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N-(2-ethoxyethyl)-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575445
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
CID 57148222
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N',N'-diethyl-N-[2-(3-methylbutylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757705

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine (CID 61386594) is N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine is CCCNCCN(CC)CC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine?
The InChIKey is MSUNJSICKQADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-7-12-8-9-13(6-2)10-11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine?
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 61386594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).