N-butoxy-N,2-dimethylpropan-1-amine

C9H21NO — CID 166738532

IUPACN-butoxy-N,2-dimethylpropan-1-amine
SMILESCCCCON(C)CC(C)C
InChIInChI=1S/C9H21NO/c1-5-6-7-11-10(4)8-9(2)3/h9H,5-8H2,1-4H3
InChIKeyLTPPITPNQFHWDP-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.31
Rot. Bonds6

About N-butoxy-N,2-dimethylpropan-1-amine

N-butoxy-N,2-dimethylpropan-1-amine (PubChem CID 166738532) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-butoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-butoxy-N,2-dimethylpropan-1-amine
PubChem CID166738532
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-butoxy-N,2-dimethylpropan-1-amine
SMILESCCCCON(C)CC(C)C
InChIInChI=1S/C9H21NO/c1-5-6-7-11-10(4)8-9(2)3/h9H,5-8H2,1-4H3
InChIKeyLTPPITPNQFHWDP-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butoxy-N-methylmethanamine
CID 19988586
N-butoxy-N-propan-2-ylpropan-1-amine
CID 151187907
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 168900055
1-[ethoxy(methyl)amino]propan-2-ol
CID 87381608
5-butoxy-2-[[methyl(2-methylpropyl)amino]methyl]pentanoic acid
CID 156523833
ethyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]-butoxyamino]propanoate
CID 88525208
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
N-butyl-N-(2-methylpropyl)thiohydroxylamine
CID 155330596
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of N-butoxy-N,2-dimethylpropan-1-amine (CID 166738532) is N-butoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-butoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-butoxy-N,2-dimethylpropan-1-amine is CCCCON(C)CC(C)C.
What is the InChIKey of N-butoxy-N,2-dimethylpropan-1-amine?
The InChIKey is LTPPITPNQFHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-7-11-10(4)8-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of N-butoxy-N,2-dimethylpropan-1-amine?
N-butoxy-N,2-dimethylpropan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 166738532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).