2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine

C12H28N2 — CID 43312489

IUPAC2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)N(CC)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-11(5)12(8-13)14(7-2)9-10(3)4/h10-12H,6-9,13H2,1-5H3
InChIKeyJMUTUYSGJQFQKJ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds7

About 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine

2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 43312489) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID43312489
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)N(CC)CC(C)C
InChIInChI=1S/C12H28N2/c1-6-11(5)12(8-13)14(7-2)9-10(3)4/h10-12H,6-9,13H2,1-5H3
InChIKeyJMUTUYSGJQFQKJ-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 61377871
3-amino-2-[ethyl(2-methylpropyl)amino]pentan-1-ol
CID 104840317
3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
CID 107869505
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
3-ethyl-2-N-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 79484103
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
CID 51624582

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine (CID 43312489) is 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine is CCC(C)C(CN)N(CC)CC(C)C.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is JMUTUYSGJQFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-11(5)12(8-13)14(7-2)9-10(3)4/h10-12H,6-9,13H2,1-5H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 43312489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).