N-ethyl-2-methylbutane-1,4-diamine

C7H18N2 — CID 79001608

IUPACN-ethyl-2-methylbutane-1,4-diamine
SMILESCCNCC(C)CCN
InChIInChI=1S/C7H18N2/c1-3-9-6-7(2)4-5-8/h7,9H,3-6,8H2,1-2H3
InChIKeyQIDZHPRFAHERPX-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.58
Rot. Bonds5

About N-ethyl-2-methylbutane-1,4-diamine

N-ethyl-2-methylbutane-1,4-diamine (PubChem CID 79001608) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N-ethyl-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-2-methylbutane-1,4-diamine
PubChem CID79001608
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN-ethyl-2-methylbutane-1,4-diamine
SMILESCCNCC(C)CCN
InChIInChI=1S/C7H18N2/c1-3-9-6-7(2)4-5-8/h7,9H,3-6,8H2,1-2H3
InChIKeyQIDZHPRFAHERPX-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
1-N,5-N-diethyl-2-methylhexane-1,5-diamine
CID 129202816
N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
CID 142254763
N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
CID 80544089
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N-[(4-butan-2-ylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202535
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylbutane-1,4-diamine?
The IUPAC name of N-ethyl-2-methylbutane-1,4-diamine (CID 79001608) is N-ethyl-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-ethyl-2-methylbutane-1,4-diamine?
The canonical SMILES for N-ethyl-2-methylbutane-1,4-diamine is CCNCC(C)CCN.
What is the InChIKey of N-ethyl-2-methylbutane-1,4-diamine?
The InChIKey is QIDZHPRFAHERPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-9-6-7(2)4-5-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-2-methylbutane-1,4-diamine?
N-ethyl-2-methylbutane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylbutane-1,4-diamine is sourced from PubChem (CID 79001608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).