N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine

C10H24N2O — CID 123202708

IUPACN'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)OC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-9(13-10(2,3)4)12-8-6-5-7-11/h9,12H,5-8,11H2,1-4H3
InChIKeyAIDFXDIRKPZMSI-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.48
Rot. Bonds6

About N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine

N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine (PubChem CID 123202708) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
PubChem CID123202708
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)OC(C)(C)C
InChIInChI=1S/C10H24N2O/c1-9(13-10(2,3)4)12-8-6-5-7-11/h9,12H,5-8,11H2,1-4H3
InChIKeyAIDFXDIRKPZMSI-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N'-[(2-methylpropan-2-yl)oxy]hexane-1,6-diamine
CID 162514509
1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 166786104
N'-(2-aminoethyl)-N-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[5-[5-(propan-2-ylamino)pentylamino]pentyl]pentane-1,5-diamine;N'-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine;N'-[3-(propan-2-ylamino)propyl]octane-1,8-diamine
CID 158904101
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
CID 134403228
(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
CID 153489696
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
1-(3-aminopropylamino)ethanesulfonic acid
CID 87212350
1-N'-(6-aminohexyl)hexane-1,1,6-triamine
CID 123601298
CID 158321019
CID 158321019

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine?
The IUPAC name of N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine (CID 123202708) is N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine is CC(NCCCCN)OC(C)(C)C.
What is the InChIKey of N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine?
The InChIKey is AIDFXDIRKPZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(13-10(2,3)4)12-8-6-5-7-11/h9,12H,5-8,11H2,1-4H3.
What are the key properties of N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine?
N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2-methylpropan-2-yl)oxy]ethyl]butane-1,4-diamine is sourced from PubChem (CID 123202708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).