2-amino-5-(ethylamino)-2-methylpentane-1,4-diol

C8H20N2O2 — CID 90990354

IUPAC2-amino-5-(ethylamino)-2-methylpentane-1,4-diol
SMILESCCNCC(O)CC(C)(N)CO
InChIInChI=1S/C8H20N2O2/c1-3-10-5-7(12)4-8(2,9)6-11/h7,10-12H,3-6,9H2,1-2H3
InChIKeyLGCPNKOYFIYUCF-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.94
Rot. Bonds6

About 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol

2-amino-5-(ethylamino)-2-methylpentane-1,4-diol (PubChem CID 90990354) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name2-amino-5-(ethylamino)-2-methylpentane-1,4-diol
PubChem CID90990354
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-amino-5-(ethylamino)-2-methylpentane-1,4-diol
SMILESCCNCC(O)CC(C)(N)CO
InChIInChI=1S/C8H20N2O2/c1-3-10-5-7(12)4-8(2,9)6-11/h7,10-12H,3-6,9H2,1-2H3
InChIKeyLGCPNKOYFIYUCF-UHFFFAOYSA-N
XLogP-0.94
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)-5-methylpyrrolidin-3-ol hydrochloride
CID 134690725
1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
5-(Hydroxymethyl)-5-methylpyrrolidin-3-ol
CID 134690726
5-Methoxy-1-(propan-2-ylamino)pentan-2-ol
CID 271882
5-(Dimethylamino)-2-(propan-2-ylamino)pentane-1,3-diol
CID 57184732
4-Amino-1-[(4-amino-2-hydroxy-4-methylpentyl)-(2-hydroxyethyl)amino]-4-methylpentan-2-ol
CID 58308932
4-Amino-1-[bis(2-hydroxyethyl)amino]-4-methylpentan-2-ol
CID 58308939
4-Amino-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpentan-2-ol
CID 58308947
4-Amino-1-(2-hydroxyethylamino)-4-methylpentan-2-ol
CID 58308949
4-Amino-4-methyl-1-[methyl-[2-(methylamino)ethyl]amino]pentan-2-ol
CID 58308950
4-Amino-1-[2-hydroxyethyl(methyl)amino]-4-methylpentan-2-ol
CID 58308951
5-Methoxy-1-(propylamino)pentan-2-ol
CID 59748005

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol?
The IUPAC name of 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol (CID 90990354) is 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol.
What is the SMILES notation for 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol?
The canonical SMILES for 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol is CCNCC(O)CC(C)(N)CO.
What is the InChIKey of 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol?
The InChIKey is LGCPNKOYFIYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-3-10-5-7(12)4-8(2,9)6-11/h7,10-12H,3-6,9H2,1-2H3.
What are the key properties of 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol?
2-amino-5-(ethylamino)-2-methylpentane-1,4-diol has a molecular weight of 176.26 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(ethylamino)-2-methylpentane-1,4-diol is sourced from PubChem (CID 90990354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).