1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine

C10H25N3 — CID 167017120

IUPAC1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine
SMILESCCNC(N)CN(C)C(C)C(C)C
InChIInChI=1S/C10H25N3/c1-6-12-10(11)7-13(5)9(4)8(2)3/h8-10,12H,6-7,11H2,1-5H3
InChIKeyJWUGVVOXWPQPPC-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.86
Rot. Bonds6

About 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine

1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine (PubChem CID 167017120) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine
PubChem CID167017120
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine
SMILESCCNC(N)CN(C)C(C)C(C)C
InChIInChI=1S/C10H25N3/c1-6-12-10(11)7-13(5)9(4)8(2)3/h8-10,12H,6-7,11H2,1-5H3
InChIKeyJWUGVVOXWPQPPC-UHFFFAOYSA-N
XLogP0.86
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
2-(bromomethyl)-N-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 65000859
2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 23008779
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
CID 79814315
3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 107505408
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine?
The IUPAC name of 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine (CID 167017120) is 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine.
What is the SMILES notation for 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine?
The canonical SMILES for 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine is CCNC(N)CN(C)C(C)C(C)C.
What is the InChIKey of 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine?
The InChIKey is JWUGVVOXWPQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-6-12-10(11)7-13(5)9(4)8(2)3/h8-10,12H,6-7,11H2,1-5H3.
What are the key properties of 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine?
1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine has a molecular weight of 187.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine is sourced from PubChem (CID 167017120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).