N-(butoxymethoxy)butan-1-amine

C9H21NO2 — CID 173191870

IUPACN-(butoxymethoxy)butan-1-amine
SMILESCCCCNOCOCCCC
InChIInChI=1S/C9H21NO2/c1-3-5-7-10-12-9-11-8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyMJZMVTDHKZQUBK-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.08
Rot. Bonds9

About N-(butoxymethoxy)butan-1-amine

N-(butoxymethoxy)butan-1-amine (PubChem CID 173191870) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-(butoxymethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(butoxymethoxy)butan-1-amine
PubChem CID173191870
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-(butoxymethoxy)butan-1-amine
SMILESCCCCNOCOCCCC
InChIInChI=1S/C9H21NO2/c1-3-5-7-10-12-9-11-8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyMJZMVTDHKZQUBK-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(ethoxymethoxy)butan-1-amine
CID 173191975
N-butoxydecan-1-amine
CID 154317996
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
3-dodecoxy-N-tetradecoxypropan-1-amine
CID 87645164
1-butoxybutane;N-methylmethanamine
CID 88830911
CID 174727700
CID 174727700
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
N-(2-hexoxyethoxy)propan-1-amine
CID 88792520
N-silyloxybutan-1-amine
CID 173037843
3-butoxypropylsilane
CID 174507386

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethoxy)butan-1-amine?
The IUPAC name of N-(butoxymethoxy)butan-1-amine (CID 173191870) is N-(butoxymethoxy)butan-1-amine.
What is the SMILES notation for N-(butoxymethoxy)butan-1-amine?
The canonical SMILES for N-(butoxymethoxy)butan-1-amine is CCCCNOCOCCCC.
What is the InChIKey of N-(butoxymethoxy)butan-1-amine?
The InChIKey is MJZMVTDHKZQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-5-7-10-12-9-11-8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of N-(butoxymethoxy)butan-1-amine?
N-(butoxymethoxy)butan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethoxy)butan-1-amine is sourced from PubChem (CID 173191870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).