(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine

C11H24N2O2 — CID 135244918

IUPAC(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine
SMILESCCCCOC[C@@H](CN(CC)CC)N=O
InChIInChI=1S/C11H24N2O2/c1-4-7-8-15-10-11(12-14)9-13(5-2)6-3/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyXPNPVZCWRLWZHW-LLVKDONJSA-N
MW216.32 g/mol
LogP2.28
Rot. Bonds10

About (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine

(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine (PubChem CID 135244918) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine.

Molecular Properties

Compound Name(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine
PubChem CID135244918
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine
SMILESCCCCOC[C@@H](CN(CC)CC)N=O
InChIInChI=1S/C11H24N2O2/c1-4-7-8-15-10-11(12-14)9-13(5-2)6-3/h11H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyXPNPVZCWRLWZHW-LLVKDONJSA-N
XLogP2.28
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-diethoxy-2-nitrosopropane
CID 123346584
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
CID 104561219
sodium 2-[(3-butoxy-2-hydroxypropyl)-(carboxymethyl)amino]acetate
CID 56842597
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
(2S)-1-butoxypropan-2-ol
CID 54289557
(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
N,N-diethylethanamine;2,3-dihexadecoxypropan-1-ol
CID 172690402
ethane;1-ethoxybutane
CID 143206406

Frequently Asked Questions

What is the IUPAC name of (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine?
The IUPAC name of (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine (CID 135244918) is (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine.
What is the SMILES notation for (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine?
The canonical SMILES for (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine is CCCCOC[C@@H](CN(CC)CC)N=O.
What is the InChIKey of (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine?
The InChIKey is XPNPVZCWRLWZHW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-8-15-10-11(12-14)9-13(5-2)6-3/h11H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine?
(2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 2.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-butoxy-N,N-diethyl-2-nitrosopropan-1-amine is sourced from PubChem (CID 135244918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).