(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine

C8H20N2 — CID 130522075

IUPAC(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](N)CN(C)CC
InChIInChI=1S/C8H20N2/c1-4-6-8(9)7-10(3)5-2/h8H,4-7,9H2,1-3H3/t8-/m0/s1
InChIKeyUGJUADDZMMFFIA-QMMMGPOBSA-N
MW144.26 g/mol
LogP1.07
Rot. Bonds5

About (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine

(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine (PubChem CID 130522075) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
PubChem CID130522075
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](N)CN(C)CC
InChIInChI=1S/C8H20N2/c1-4-6-8(9)7-10(3)5-2/h8H,4-7,9H2,1-3H3/t8-/m0/s1
InChIKeyUGJUADDZMMFFIA-QMMMGPOBSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine
CID 130656147
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
1-N-methyl-1-N-(2-methylpropyl)hexane-1,2-diamine
CID 60852628
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
CID 129302821
azane;heptan-4-amine
CID 118430725
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine?
The IUPAC name of (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine (CID 130522075) is (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine?
The canonical SMILES for (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine is CCC[C@H](N)CN(C)CC.
What is the InChIKey of (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine?
The InChIKey is UGJUADDZMMFFIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-6-8(9)7-10(3)5-2/h8H,4-7,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine?
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 130522075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).