N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine

C11H22BrNO — CID 102860106

IUPACN-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
SMILESCOCC(C)N(CCCBr)C1CCC1
InChIInChI=1S/C11H22BrNO/c1-10(9-14-2)13(8-4-7-12)11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyRZDPYUZUQJRNOO-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.66
Rot. Bonds7

About N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine

N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine (PubChem CID 102860106) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
PubChem CID102860106
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
SMILESCOCC(C)N(CCCBr)C1CCC1
InChIInChI=1S/C11H22BrNO/c1-10(9-14-2)13(8-4-7-12)11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyRZDPYUZUQJRNOO-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine (CID 102860106) is N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine is COCC(C)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine?
The InChIKey is RZDPYUZUQJRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(9-14-2)13(8-4-7-12)11-5-3-6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine?
N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine has a molecular weight of 264.21 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine is sourced from PubChem (CID 102860106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).