N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

C9H22N2 — CID 55209612

IUPACN-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNCCCNCC(C)C
InChIInChI=1S/C9H22N2/c1-4-10-6-5-7-11-8-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOJHALJMYYCMQBG-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.23
Rot. Bonds7

About N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 55209612) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID55209612
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCNCCCNCC(C)C
InChIInChI=1S/C9H22N2/c1-4-10-6-5-7-11-8-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyOJHALJMYYCMQBG-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
2-methyl-N-propylpropan-1-amine
CID 520943
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
CID 118903147
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 55209612) is N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCNCCCNCC(C)C.
What is the InChIKey of N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is OJHALJMYYCMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-10-6-5-7-11-8-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 55209612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).