(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine

C15H34N2 — CID 112736909

IUPAC(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CC[C@@H](CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3/t14?,15-/m1/s1
InChIKeyCGYJLFNENAWAKP-YSSOQSIOSA-N
MW242.45 g/mol
LogP3.37
Rot. Bonds10

About (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine

(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (PubChem CID 112736909) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound Name(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
PubChem CID112736909
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CC[C@@H](CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3/t14?,15-/m1/s1
InChIKeyCGYJLFNENAWAKP-YSSOQSIOSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
1,6-Hexanediamine, N,N'-bis(2-methylpropyl)-
CID 177722
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
Ethyl(3-(piperidin-4-yl)propyl)amine
CID 62212185
Dimethyl[3-(piperidin-4-yl)propyl]amine
CID 12747032
3-(1-Methylpiperidin-3-yl)propan-1-amine
CID 15620220
3-(1-Methylpyrrolidin-3-yl)propan-1-amine
CID 23009458
3-(1-Methylpiperidin-4-yl)propan-1-amine
CID 23498080
Methyl[3-(1-methylpiperidin-4-yl)propyl]amine
CID 68657539
(1-Methylazepan-3-yl)methanamine
CID 83904938

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (CID 112736909) is (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is CCC(C)CN(CC)CC[C@@H](CN)CC(C)C.
What is the InChIKey of (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is CGYJLFNENAWAKP-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 112736909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).